Atomic Number |
Atomic Symbol |
Isotope | Isotope Mass |
Isotope Abundance |
Number Atoms |
Mass |
---|---|---|---|---|---|---|
6 | C | 12 | 12.0000 | 98.9000 | 8 | 96.0000 |
8 | O | 16 | 15.9949 | 99.7620 | 8 | 127.9593 |
Total | 16 | 223.9593 | ||||
Isotopomer Natural Abundance (%) | 89.8031 |
E | C2.(z) | C2.(y) | C2.(x) | i | σ.(xy) | σ.(xy) | σ.(xy) |
---|---|---|---|---|---|---|---|
16 | 0 | 4 | 4 | 0 | 16 | 4 | 4 |
A1g | B1g | B2g | B3g | A1u | B1u | B2u | B3u |
---|---|---|---|---|---|---|---|
6 | 2 | 0 | 0 | 0 | 0 | 4 | 4 |
Atom Set* | Site Symmetry** | h(Site Symmetry) | Identical Atoms*** | Element | Chrial | Polar | Isotopomer | ||
---|---|---|---|---|---|---|---|---|---|
Isotope | Mass | Abundance**** | |||||||
1 | C2v | 4 | 2 | C | no | yes | 13C | 224.9627 | 1.9976 |
2 | C2v | 4 | 2 | C | no | yes | 13C | 224.9627 | 1.9976 |
3 | C2v | 4 | 2 | O | no | yes | 18O 17O | 225.9636 224.9635 | 0.3601 0.068413 |
4 | C2v | 4 | 2 | O | no | yes | 18O 17O | 225.9636 224.9635 | 0.3601 0.068413 |
5 | Cs | 2 | 4 | C | no | yes | 13C | 224.9627 | 3.9953 |
6 | Cs | 2 | 4 | O | no | yes | 18O 17O | 225.9636 224.9635 | 0.7201 0.1368 |
Total Number of Atoms: | 16 | ✅ Correct Number of Atoms found |
Replacement | Pattern | Achiral Isomers | Chiral Isomer Pairs |
---|---|---|---|
Single | X | 6 | 0 |
Double | X2 | 38 | 0 |
Double | XY | 66 | 0 |
Triple | X3 | 154 | 0 |
Triple | X2Y | 438 | 0 |
Triple | XYZ | 852 | 0 |
Quadruple | X4 | 488 | 0 |
Quadruple | X3Y | 1.858 | 0 |
Quadruple | X2Y2 | 2.798 | 0 |
Quadruple | X2YZ | 5.502 | 0 |
Quadruple | WXYZ | 10.932 | 0 |
Quintuple | X5 | 1.134 | 0 |
Quintuple | VWXYZ | 131.040 | 0 |
Sextuple | X6 | 2.074 | 0 |
Sextuple | UVWXYZ | 1.441.440 | 0 |
E | C2.(z) | C2.(y) | C2.(x) | i | σ.(xy) | σ.(xy) | σ.(xy) |
---|---|---|---|---|---|---|---|
48 | 0 | -4 | -4 | 0 | 16 | 4 | 4 |
A1g | B1g | B2g | B3g | A1u | B1u | B2u | B3u |
---|---|---|---|---|---|---|---|
8 | 8 | 4 | 4 | 2 | 6 | 8 | 8 |
Molecular motions and force field analysis |
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