2-Methyl-2-Propanyl {(2S,3R)-4-[(4S)-7-Fluoro-4-Methyl-1,1-Dioxido-4,5-Dihydro-1,2-Benzothiazepin-2(3H)-Yl]-3-Hydroxy-1-Phenyl-2-Butanyl}Carbamate
Properties
| Property | Value |
|---|---|
| Formula | C25H33FN2O5S |
| IUPAC Name | tert-butyl n-[(1s,2r)-1-benzyl-3-[(4s)-7-fluoro-4-methyl-1,1-dioxo-4,5-dihydro-3h-1λ6,2-benzothiazepin-2-yl]-2-hydroxy-propyl]carbamate |
| Molecular Mass | 492.603 g·mol−1 |
| Heat of Formation | -1104.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.95 ± 1.08 D |
| Volume | 584.07 Å 3 |
| Surface Area | 402.96 Å 2 |
| HOMO Energy | -9.27 ± 0.55 eV |
| LUMO Energy | -0.65 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KMJVCYPPUACVBA-BULFRSBZSA-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 |