| System | Absolute Sterechemistry | Computed chiroptics (VCD)b |
|---|---|---|
| Molecule-A (2R,3R) | 2R,3R | 41891 |
| Molecule-A (2S,3S) | 2S,3S | 43356 |
| Molecule-A (2S,3R) | 2S,3R | 43340 |
| Molecule-A (2R,3S) | 2R,3S | 43364 |
| Molecule-B (2R,3R) | 2R,3R | 43358 |
| Molecule-B (2S,3S) | 2S,3S | 43348 |
| Molecule-B meso | meso, 2R,3S | 43697 |
| aωB97XD/6-311G(d,p)/SCRF=chloroform calculation. Click on any molecule link to reveal a 3D-coordinate model. bA digital repository identifier (DOI), with prefix 10.14469/ch/, i.e. http://doi.org/10.14469/ch/41096, | ||
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