1-{(2S,3R)-4-[(4R)-7-Fluoro-4-Isopropyl-1,1-Dioxido-4,5-Dihydro-1,2-Benzothiazepin-2(3H)-Yl]-3-Hydroxy-1-Phenyl-2-Butanyl}-3-(2-Methyl-2-Propanyl)Urea
Properties
| Property | Value |
|---|---|
| Formula | C27H38FN3O4S |
| IUPAC Name | 1-[(1s,2r)-1-benzyl-3-[(2r,4r)-7-fluoro-4-isopropyl-1,1-dioxo-4,5-dihydro-3h-1λ6,2-benzothiazepin-2-yl]-2-hydroxy-propyl]-3-tert-butyl-urea |
| Molecular Mass | 519.672 g·mol−1 |
| Heat of Formation | -914.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.27 ± 1.08 D |
| Volume | 630.91 Å 3 |
| Surface Area | 480.41 Å 2 |
| HOMO Energy | -9.07 ± 0.55 eV |
| LUMO Energy | 2.46 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VQJKWPDMRXMXDB-OEMFJLHTSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |