(2S,3S)-5-[2-(Dimethylamino)Ethyl]-2-(4-Methoxyphenyl)-4-Oxo-2,3,4,5-Tetrahydronaphtho[1,2-B][1,4]Thiazepin-3-Yl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C26H28N2O4S |
| IUPAC Name | [(2s,3r)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] acetate |
| Molecular Mass | 464.577 g·mol−1 |
| Heat of Formation | -435.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.06 ± 1.08 D |
| Volume | 556.96 Å 3 |
| Surface Area | 438.24 Å 2 |
| HOMO Energy | -8.57 ± 0.55 eV |
| LUMO Energy | -1.36 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GWVJLVHNKMLXRM-ZEQRLZLVSA-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 |