(3S,4S,5R)-3-(4-Amino-3-Fluoro-5-{[(2R)-1,1,1-Trifluoro-3-Methoxy-2-Propanyl]Oxy}Benzyl)-4-Hydroxy-5-{[3-(2-Methyl-2-Propanyl)Benzyl]Amino}Tetrahydro-2H-Thiopyranium-1-Olate
Properties
| Property | Value |
|---|---|
| Formula | C27H36F4N2O4S |
| IUPAC Name | (1r,3s,4s,5r)-3-[[4-amino-3-fluoro-5-[(1r)-2,2,2-trifluoro-1-(methoxymethyl)ethoxy]phenyl]methyl]-5-[(3-tert-butylphenyl)methylamino]-1-oxo-thian-4-ol |
| Molecular Mass | 560.644 g·mol−1 |
| Heat of Formation | -1466.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.32 ± 1.08 D |
| Volume | 654.83 Å 3 |
| Surface Area | 513.45 Å 2 |
| HOMO Energy | -8.39 ± 0.55 eV |
| LUMO Energy | -0.15 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FIUDDEQHPBHZBI-XPLIUGCLSA-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 |