(3S,4S,5R)-3-(4-Amino-3-{[(2R)-3-Ethoxy-1,1,1-Trifluoro-2-Propanyl]Oxy}-5-Fluorobenzyl)-5-{[3-(2-Methyl-2-Propanyl)Benzyl]Amino}Tetrahydro-2H-Thiopyran-4-Ol 1,1-Dioxide
Properties
Property | Value |
---|---|
Formula | C28H38F4N2O5S |
IUPAC Name | (3s,4s,5r)-3-[[4-amino-3-[(1r)-1-(ethoxymethyl)-2,2,2-trifluoro-ethoxy]-5-fluoro-phenyl]methyl]-5-[(3-tert-butylphenyl)methylamino]-1,1-dioxo-thian-4-ol |
Molecular Mass | 590.670 g·mol−1 |
Heat of Formation | -1695.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.63 ± 1.08 D |
Volume | 684.26 Å 3 |
Surface Area | 554.62 Å 2 |
HOMO Energy | -8.42 ± 0.55 eV |
LUMO Energy | -0.50 ± eV |
Point Group Symmetry | C1 |
InChIKey | UJZFSYZNJMWXJO-NJONLQHESA-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 |