(4R,5S,6S)-3-(6,7-Dihydro-5H-Pyrazolo[1,2-A][1,2,4]Triazol-4-Ium-6-Ylsulfanyl)-6-(1-Hydroxyethyl)-4-Methyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C15H18N4O4S |
| IUPAC Name | (4r,5s,6s)-3-[[(6r)-6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-6-[(1s)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate |
| Molecular Mass | 350.393 g·mol−1 |
| Heat of Formation | -182.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.57 ± 1.08 D |
| Volume | 392.93 Å 3 |
| Surface Area | 310.53 Å 2 |
| HOMO Energy | -8.02 ± 0.55 eV |
| LUMO Energy | 1.97 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MRMBZHPJVKCOMA-JZSSXWJLSA-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 |