(6R,7S)-7-{[(2R)-2-{[(4-Ethyl-2,3-Dioxo-1-Piperazinyl)Carbonyl]Amino}-2-(4-Hydroxyphenyl)Acetyl]Amino}-3-{[(1-Methyl-1H-Tetrazol-5-Yl)Sulfanyl]Methyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C25H27N9O8S2 |
| IUPAC Name | (6s,7s)-7-[[(2r)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Mass | 645.667 g·mol−1 |
| Heat of Formation | -748.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.79 ± 1.08 D |
| Volume | 701.1 Å 3 |
| Surface Area | 584.98 Å 2 |
| HOMO Energy | -9.20 ± 0.55 eV |
| LUMO Energy | -0.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GCFBRXLSHGKWDP-VVBPWWLESA-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 |