Taranabant

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Formula C27H25ClF3N3O2
IUPAC Name 2-(1-aminoethoxy)-n-[(1s,2s)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methyl-propyl]-2-methyl-propanamide trifluoride
Molecular Mass 515.955 g·mol−1
Heat of Formation -731.5 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 594.38 Å 3
Surface Area 485.6 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s,2s)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methyl-propyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]oxy]propanamide
  • n-[(1s,2s)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methyl-propyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]oxy]propionamide
  • n-[(1s,2s)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]oxy]propanamide
  • n-[(2s,3s)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxy-propanamide
  • n-[(2s,3s)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanamide
InChIKey QLYKJCMUNUWAGO-GAJHUEQPSA-N
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