(3S,4S,5R)-3-{4-Amino-3-Fluoro-5-[(1,1,1,3,3,3-Hexafluoro-2-Propanyl)Oxy]Benzyl}-4-Hydroxy-5-{[3-(2-Methyl-2-Propanyl)Benzyl]Amino}Tetrahydro-2H-Thiopyranium-1-Olate
Properties
| Property | Value |
|---|---|
| Formula | C26H31F7N2O3S |
| IUPAC Name | (1r,3s,4s,5r)-3-[[4-amino-3-fluoro-5-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]phenyl]methyl]-5-[(3-tert-butylphenyl)methylamino]-1-oxo-thian-4-ol |
| Molecular Mass | 584.590 g·mol−1 |
| Heat of Formation | -1933.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.21 ± 1.08 D |
| Volume | 645.74 Å 3 |
| Surface Area | 504.2 Å 2 |
| HOMO Energy | -8.51 ± 0.55 eV |
| LUMO Energy | -0.39 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SVZBUJIOBQPGEC-UDLQCLCKSA-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 |