4-({[(6S,7S)-7-{[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-{[(2-Carboxy-2-Propanyl)Oxy]Imino}Acetyl]Amino}-2-Carboxy-5-Oxido-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-En-3-Yl]Methyl}Sulfanyl)-1-Methylpyridinium
Properties
| Property | Value |
|---|---|
| Formula | C23H25N6O8S3+ |
| IUPAC Name | (6r,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-(1-carboxy-1-methyl-ethoxy)imino-acetyl]amino]-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-5,8-dioxo-5λ4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Mass | 609.675 g·mol−1 |
| Heat of Formation | 1822.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.83 ± 1.08 D |
| Volume | 566.21 Å 3 |
| Surface Area | 447.2 Å 2 |
| HOMO Energy | -8.96 ± 0.55 eV |
| LUMO Energy | -2.57 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HCCFUFNFJIUPHS-CWAVGKLXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | S C O N |