Geometry & MOs

Info

ID:	228922
PubChem CID:	87566244
Reduced:	NSO4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	461.148175
ΔH_f, kcal/mol:	-122.47
Dipole, Da:	4.86
IP(EA), eV:	-9.5(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1R)-1-(6-chloropyridin-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)ON2CCCC(=O)C2

DOS

IR

Vibrations