Geometry & MOs

Info

ID:	228939
PubChem CID:	87566301
Reduced:	ClN2O2F6H25C26 (1)
Stoich.:	AB2C2D6E25F26 (1)
Weight, g/mol:	511.169446
ΔH_f, kcal/mol:	-379.88
Dipole, Da:	6.09
IP(EA), eV:	-9.62(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-phenyl-2-[[(1S)-1-[3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)pyridin-3-yl]propyl]amino]acetamide

Drug info:

PubChemData

Smile

CNC(=O)[C@H](C1=CC=CC=C1)N[C@H](CCC2=CC=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)OC(F)(F)F.Cl

DOS

IR

Vibrations