(6R,7R)-7-({(2E)-2-(Ethoxyimino)-2-[5-(Phosphonoamino)-1,2,4-Thiadiazol-3-Yl]Acetyl}Amino)-3-{[4-(1-Methyl-4-Pyridiniumyl)-1,3-Thiazol-2-Yl]Sulfanyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C22H21N8O8PS4 |
| IUPAC Name | (6r,7r)-7-[[(2e)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| Molecular Mass | 684.685 g·mol−1 |
| Heat of Formation | -645.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 29.48 ± 1.08 D |
| Volume | 717.89 Å 3 |
| Surface Area | 539.44 Å 2 |
| HOMO Energy | -7.51 ± 0.55 eV |
| LUMO Energy | -2.14 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZCCUWMICIWSJIX-XHNDKCDBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |