1-{[(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Methoxyimino)Acetyl]Amino}-2-Carboxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-En-3-Yl]Methyl}-5,6,7,8-Tetrahydroquinolinium
Properties
| Property | Value |
|---|---|
| Formula | C23H24N6O5S2 |
| IUPAC Name | (6r,7s)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| Molecular Mass | 528.604 g·mol−1 |
| Heat of Formation | -113.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.51 ± 1.08 D |
| Volume | 576.73 Å 3 |
| Surface Area | 492.31 Å 2 |
| HOMO Energy | -8.60 ± 0.55 eV |
| LUMO Energy | 1.37 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YWKJNRNSJKEFMK-GJNNJVKPSA-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 |