(3S,4S,5R)-3-(4-Amino-3-Bromo-5-Fluorobenzyl)-5-{[3-(1,1-Difluoroethyl)Benzyl]Amino}Tetrahydro-2H-Thiopyran-4-Ol 1,1-Dioxide
Properties
Property | Value |
---|---|
Formula | C21H24BrF3N2O3S |
IUPAC Name | (3s,4s,5r)-3-[(4-amino-3-bromo-5-fluoro-phenyl)methyl]-5-[[3-(1,1-difluoroethyl)phenyl]methylamino]-1,1-dioxo-thian-4-ol |
Molecular Mass | 521.391 g·mol−1 |
Heat of Formation | -1022.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.85 ± 1.08 D |
Volume | 528.85 Å 3 |
Surface Area | 449.9 Å 2 |
HOMO Energy | -8.73 ± 0.55 eV |
LUMO Energy | -0.81 ± eV |
Point Group Symmetry | C1 |
InChIKey | QBRKIXCNLLQOPH-WNYOCNMUSA-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 Br |