Geometry & MOs

Info

ID:	36277
PubChem CID:	8000193
Reduced:	NC18H30 (1)
Stoich.:	AB18C30 (1)
Weight, g/mol:	329.043041
ΔH_f, kcal/mol:	6.77
Dipole, Da:	4.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.041674
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[NH2+]CC[C@H](C)CCC=C(C)C

DOS

IR

Vibrations