1-{[(6R,7S)-3-(Acetoxymethyl)-7-Methoxy-5,5-Dioxido-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-En-2-Yl]Carbonyl}-D-Proline
Properties
| Property | Value |
|---|---|
| Formula | C16H20N2O9S |
| IUPAC Name | (2r)-1-[(6r,7s)-3-(acetoxymethyl)-7-methoxy-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]pyrrolidine-2-carboxylic acid |
| Molecular Mass | 416.403 g·mol−1 |
| Heat of Formation | -1385.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.57 ± 1.08 D |
| Volume | 445.99 Å 3 |
| Surface Area | 368.43 Å 2 |
| HOMO Energy | -9.41 ± 0.55 eV |
| LUMO Energy | -0.88 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SMZXYXKZTNLAKY-IFUGULHKSA-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 |