3-({[(3R,5R)-3-Butyl-3-Ethyl-7-Methoxy-1,1-Dioxido-5-Phenyl-2,3,4,5-Tetrahydro-1,4-Benzothiazepin-8-Yl]Methyl}Amino)Pentanedioic Acid
Properties
| Property | Value |
|---|---|
| Formula | C28H38N2O7S |
| IUPAC Name | 3-[[(3r,5r)-3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2h-1λ6,4-benzothiazepin-8-yl]methylamino]pentanedioic acid |
| Molecular Mass | 546.676 g·mol−1 |
| Heat of Formation | -1205.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.68 ± 1.08 D |
| Volume | 659.09 Å 3 |
| Surface Area | 527.9 Å 2 |
| HOMO Energy | -9.32 ± 0.55 eV |
| LUMO Energy | -0.66 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CZGVOBIGEBDYTP-VSGBNLITSA-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 |