(3S,4S,5R)-3-{4-Amino-3-Fluoro-5-[(2S)-3,3,3-Trifluoro-2-Hydroxypropyl]Benzyl}-5-{[3-(2-Methyl-2-Propanyl)Benzyl]Amino}Tetrahydro-2H-Thiopyran-4-Ol 1,1-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C26H34F4N2O4S |
| IUPAC Name | (3s,4s,5r)-3-[[4-amino-3-fluoro-5-[(2s)-3,3,3-trifluoro-2-hydroxy-propyl]phenyl]methyl]-5-[(3-tert-butylphenyl)methylamino]-1,1-dioxo-thian-4-ol |
| Molecular Mass | 546.618 g·mol−1 |
| Heat of Formation | -1560.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.47 ± 1.08 D |
| Volume | 631.85 Å 3 |
| Surface Area | 519.47 Å 2 |
| HOMO Energy | -8.89 ± 0.55 eV |
| LUMO Energy | -0.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GCVKLIOGBJALOK-VPJOFFEXSA-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 |