Geometry & MOs

Info

ID:	190596
PubChem CID:	78026514
Reduced:	NSO7C18H27 (1)
Stoich.:	ABC7D18E27 (1)
Weight, g/mol:	490.223198
ΔH_f, kcal/mol:	-295.66
Dipole, Da:	7.26
IP(EA), eV:	-9.64(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-[[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CC1(CC(C(O1)C(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)OC)CCO)C

DOS

IR

Vibrations