Methyl (6R,7R)-3-{[(5-Methyl-1,3,4-Thiadiazol-2-Yl)Sulfanyl]Methyl}-8-Oxo-7-[(1H-Tetrazol-1-Ylacetyl)Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-3-Ene-2-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C15H16N8O4S3 |
| IUPAC Name | methyl (6r,7r)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate |
| Molecular Mass | 468.534 g·mol−1 |
| Heat of Formation | 30.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.06 ± 1.08 D |
| Volume | 500.15 Å 3 |
| Surface Area | 385.3 Å 2 |
| HOMO Energy | -8.80 ± 0.55 eV |
| LUMO Energy | -1.55 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VWSAVDPCHLJLPI-NQBHXWOUSA-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 |