2-({[2-(4-Chlorophenyl)-2,5-Cyclohexadien-1-Yl]Methyl}Sulfanyl)Pyrano[4,3-C]Pyrazol-3(2H)-One
Properties
| Property | Value |
|---|---|
| Formula | C19H15ClN2O2S |
| IUPAC Name | 2-[[(1r)-2-(4-chlorophenyl)cyclohexa-2,5-dien-1-yl]methylsulfanyl]-6,7-dihydro-4h-pyrano[4,3-c]pyrazole-3a,4,6,7-tetraid-3-one |
| Molecular Mass | 370.853 g·mol−1 |
| Heat of Formation | 137.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.78 ± 1.08 D |
| Volume | 408.82 Å 3 |
| Surface Area | 313.16 Å 2 |
| HOMO Energy | -8.46 ± 0.55 eV |
| LUMO Energy | -1.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PRLDSDBFYONWHP-AWEZNQCLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |