N-{5-[(1R)-2-({(1R)-1-[4-(Difluoromethoxy)Phenyl]-2-Phenylethyl}Amino)-1-Hydroxyethyl]-2-Hydroxyphenyl}Methanesulfonamide

Molecule SVG Image

Properties Simple | Detailed

Formula C24H26F2N2O5S
IUPAC Name [[3-[(1r)-2-[[(1r)-1-[4-(difluoromethoxy)phenyl]-2-phenyl-ethyl]amino]-1-hydroxy-ethyl]-6-oxo-cyclohexa-1,4-dien-1-yl]amino]methanesulfinate
Molecular Mass 492.535 g·mol−1
Heat of Formation -1057.7 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 557.91 Å 3
Surface Area 475.28 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 3.78 ± eV
Point Group Symmetry C1
Synonyms
  • n-[5-[(1r)-2-[[(1r)-1-[4-(difluoromethoxy)phenyl]-2-phenyl-ethyl]amino]-1-hydroxy-ethyl]-2-hydroxy-phenyl]methanesulfonamide
  • n-[5-[(1r)-2-[[(1r)-1-[4-(difluoromethoxy)phenyl]-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
InChIKey XWLVOJZVWRCRMD-OFNKIYASSA-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