(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

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Properties Simple | Detailed

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
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