7-{[2-(2-Ammonio-1,3-Thiazol-4-Yl)-2-(Methoxyimino)-1-Oxidanidylethylidene]Amino}-3-{[(2-Methyl-6-Oxido-5-Oxo-5H-1,2,4-Triazin-2-Ium-4-Id-3-Yl)Sulfanyl]Methyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C18H16N8O7S3-- |
| IUPAC Name | 7-{[2-(2-ammonio-1,3-thiazol-4-yl)-2-(methoxyimino)-1-oxidanidylethylidene]amino}-3-{[(2-methyl-6-oxido-5-oxo-5h-1,2,4-triazin-2-ium-4-id-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| Molecular Mass | 552.564 g·mol−1 |
| Heat of Formation | 1114.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 16.64 ± 1.08 D |
| Volume | 548.14 Å 3 |
| Surface Area | 456.77 Å 2 |
| HOMO Energy | -8.02 ± 0.55 eV |
| LUMO Energy | -3.61 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PGSFBGXNEHRYRA-MVZQZQSYSA-O |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C S O N |