Geometry & MOs

Info

ID:	228710
PubChem CID:	87565589
Reduced:	OCl2F3N3H22C24 (1)
Stoich.:	AB2C3D3E22F24 (1)
Weight, g/mol:	495.109202
ΔH_f, kcal/mol:	-152.12
Dipole, Da:	6.04
IP(EA), eV:	-9.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-2-[[(1S)-1-(6-chloropyridin-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations