3-({[(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}Sulfanyl)-2-Methyl-5,6-Dioxo-5,6-Dihydro-2H-1,2,4-Triazin-1-Ide
Properties
| Property | Value |
|---|---|
| Formula | C18H16N8O7S3-- |
| IUPAC Name | 3-({[(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}sulfanyl)-2-methyl-5,6-dioxo-5,6-dihydro-2h-1,2,4-triazin-1-ide |
| Molecular Mass | 552.564 g·mol−1 |
| Heat of Formation | 1309.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.24 ± 1.08 D |
| Volume | 555.85 Å 3 |
| Surface Area | 478.83 Å 2 |
| HOMO Energy | -8.96 ± 0.55 eV |
| LUMO Energy | -3.31 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PGSFBGXNEHRYRA-SPQHTLEESA-L |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C S O N |