Geometry & MOs

Info

ID:	157840
PubChem CID:	56437560
Reduced:	SO2N5H21C24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	32.38
Dipole, Da:	1.25
IP(EA), eV:	-8.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano-(3,4,5-trimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=C(C=C2)SC3=NC=CN3C)NC(=O)C4=CC=NC=C4

DOS

IR

Vibrations