N~2~-{2-Chloro-4-[(4-Methyl-1-Piperazinyl)Carbonyl]Phenyl}-N~2~,N~8~-Dimethyl-4,5-Dihydrothieno[3,2-D][1]Benzoxepine-2,8-Dicarboxamide
Properties
| Property | Value |
|---|---|
| Formula | C28H29ClN4O4S |
| IUPAC Name | n2-[2-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]-n2,n8-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide |
| Molecular Mass | 553.072 g·mol−1 |
| Heat of Formation | -375.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.08 ± 1.08 D |
| Volume | 626.28 Å 3 |
| Surface Area | 514.04 Å 2 |
| HOMO Energy | -9.06 ± 0.55 eV |
| LUMO Energy | -1.41 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | TVUWQOATJJJPPP-UHFFFAOYSA-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 |