Geometry & MOs

Info

ID:	426378
PubChem CID:	135143673
Reduced:	NOSH29C44 (1)
Stoich.:	ABCD29E44 (1)
Weight, g/mol:	275.071306
ΔH_f, kcal/mol:	163.75
Dipole, Da:	1.15
IP(EA), eV:	-7.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-(4-chlorophenyl)-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C2/C(=C\C=C)/C3=CC=CC=C3N2C4=CC=CC=C4C15C6=C(C=C(C=C6)C7=CC=CC8=C7SC9=CC=CC=C89)OC1=CC=CC=C51

DOS

IR

Vibrations