Geometry & MOs

Info

ID:	229348
PubChem CID:	87567453
Reduced:	OCl2N3F4H21C24 (1)
Stoich.:	AB2C3D4E21F24 (1)
Weight, g/mol:	513.09978
ΔH_f, kcal/mol:	-190.85
Dipole, Da:	7.04
IP(EA), eV:	-9.71(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R)-1-(3,4-dichlorophenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations