(6R,7S)-7-{[(2R)-2-Hydroxy-2-Phenylacetyl]Amino}-3-{[(1-Methyl-1H-Tetrazol-5-Yl)Sulfanyl]Methyl}-8-Oxo-5-Oxa-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C18H18N6O6S |
| IUPAC Name | (6s,7r)-7-[[(2r)-2-hydroxy-2-phenyl-acetyl]amino]-3-[(1-methyl-3,4-diaza-1-azonia-2-azanidacyclopenta-3,5-dien-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Mass | 446.437 g·mol−1 |
| Heat of Formation | -498.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.38 ± 1.08 D |
| Volume | 479.1 Å 3 |
| Surface Area | 347.04 Å 2 |
| HOMO Energy | -9.48 ± 0.55 eV |
| LUMO Energy | -1.32 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WNEPWYQQVULKKQ-GHJWDPDVSA-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 |