3-(6,7-Dihydro-5H-Pyrazolo[1,2-A][1,2,4]Triazol-4-Ium-6-Ylsulfanyl)-5-(3-Hydroxy-1-Oxo-2-Butanyl)-4-Methyl-4,5-Dihydro-1H-Pyrrole-2-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C15H20N4O4S |
| IUPAC Name | 4-(6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-2-(1-formyl-2-hydroxy-propyl)-3-methyl-2,3-dihydro-1h-pyrrole-5-carboxylate |
| Molecular Mass | 352.409 g·mol−1 |
| Heat of Formation | 2159.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.81 ± 1.08 D |
| Volume | 447.82 Å 3 |
| Surface Area | 358.69 Å 2 |
| HOMO Energy | -9.05 ± 0.55 eV |
| LUMO Energy | -1.83 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FXUMZXFCLFWWAR-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C S O N |