(2S,5R,6R)-6-[(E)-(1-Azepanylmethylene)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H23N3O3S |
| IUPAC Name | (2s,5r,6r)-6-[(e)-azepan-1-ylmethyleneamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Molecular Mass | 325.426 g·mol−1 |
| Heat of Formation | -410.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.33 ± 1.08 D |
| Volume | 392.44 Å 3 |
| Surface Area | 316.54 Å 2 |
| HOMO Energy | -8.49 ± 0.55 eV |
| LUMO Energy | -0.06 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BWWVAEOLVKTZFQ-ISVUSNJMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |