Geometry & MOs

Info

ID:	195789
PubChem CID:	78732381
Reduced:	SN4O5C18H22 (1)
Stoich.:	AB4C5D18E22 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-149.6
Dipole, Da:	4.83
IP(EA), eV:	-8.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)NC(C)C(=O)NC2=CC(=CC=C2)N3CCCC3=O

DOS

IR

Vibrations