Geometry & MOs

Info

ID:	424177
PubChem CID:	135121620
Reduced:	NOH25C31 (1)
Stoich.:	ABC25D31 (1)
Weight, g/mol:	434.199428
ΔH_f, kcal/mol:	72.15
Dipole, Da:	1.86
IP(EA), eV:	-8.43(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(6R)-4-amino-3-cyano-2-(4-methylphenyl)-6-phenylcyclohexa-1,3-dien-1-yl]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=C(N2C3=CC=C(C=C3)C(=O)C)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations