2-(4-Chlorophenyl)-5,6-Dihydro[1]Benzothiepino[5,4-C]Pyridazin-3(2H)-One 7-Oxide
Properties
| Property | Value |
|---|---|
| Formula | C18H13ClN2O2S |
| IUPAC Name | (7s)-2-(4-chlorophenyl)-7-oxo-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one |
| Molecular Mass | 356.826 g·mol−1 |
| Heat of Formation | 90.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.06 ± 1.08 D |
| Volume | 380.91 Å 3 |
| Surface Area | 333.37 Å 2 |
| HOMO Energy | -8.87 ± 0.55 eV |
| LUMO Energy | -1.37 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WHMCSFWQVGJBGM-DEOSSOPVSA-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 |