1-{[(6R,7R)-7-{[(2Z)-2-(5-Amino-1,2,4-Thiadiazol-3-Yl)-2-(Methoxyimino)Acetyl]Amino}-2-Carboxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-En-3-Yl]Methyl}-4-Carbamoyl(3-~14~C)-1-Azoniabicyclo[2.2.2]Octane
Properties
| Property | Value |
|---|---|
| Formula | C21H26N8O6S2 |
| IUPAC Name | (6r,7r)-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-acetyl]amino]-3-[(4-carbamoylquinuclidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| Molecular Mass | 550.611 g·mol−1 |
| Heat of Formation | -315.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.52 ± 1.08 D |
| Volume | 599.84 Å 3 |
| Surface Area | 492.51 Å 2 |
| HOMO Energy | -8.51 ± 0.55 eV |
| LUMO Energy | -1.09 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JUVHVMCKLDZLGN-TZQXVUAQSA-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 |