Geometry & MOs

Info

ID:	174739
PubChem CID:	75807205
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	382.213067
ΔH_f, kcal/mol:	-126.99
Dipole, Da:	4.24
IP(EA), eV:	-8.67(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(2,3-dimethoxyphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC(C)C(=O)NC2=CC=CC=C2NS(=O)(=O)C

DOS

IR

Vibrations