5-[2-(Dimethylamino)Ethyl]-2-(4-Methoxyphenyl)-4-Oxo-2,3,4,5-Tetrahydro-1,5-Benzothiazepin-3-Yl Nicotinate
Properties
| Property | Value |
|---|---|
| Formula | C26H27N3O4S |
| IUPAC Name | [(2s,3r)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] pyridine-3-carboxylate |
| Molecular Mass | 477.575 g·mol−1 |
| Heat of Formation | -313.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.16 ± 1.08 D |
| Volume | 564.58 Å 3 |
| Surface Area | 459.81 Å 2 |
| HOMO Energy | -8.68 ± 0.55 eV |
| LUMO Energy | -1.17 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DSYNMAGEJOOLTQ-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 |