(2'S,3R,5'R)-3-Chloro-3',3'-Dimethyl-7'-Oxo-3-(Phenylcarbamoyl)Spiro[Oxirane-2,6'-[4]Thia[1]Azabicyclo[3.2.0]Heptane]-2'-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C16H15ClN2O5S |
| IUPAC Name | (2s,2's,5r,6s)-2'-chloro-3,3-dimethyl-7-oxo-2'-(phenylcarbamoyl)spiro[4-thia-1-azabicyclo[3.2.0]heptane-6,3'-oxirane]-2-carboxylic acid |
| Molecular Mass | 382.819 g·mol−1 |
| Heat of Formation | -522.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.42 ± 1.08 D |
| Volume | 411.09 Å 3 |
| Surface Area | 336.1 Å 2 |
| HOMO Energy | -9.30 ± 0.55 eV |
| LUMO Energy | -1.01 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UEMZAMIDKCYVJS-VCPCVOAUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |