Geometry & MOs

Info

ID:	136015
PubChem CID:	51965806
Reduced:	SO2N3H21C24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	406.145293
ΔH_f, kcal/mol:	18.76
Dipole, Da:	6.51
IP(EA), eV:	-9.23(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)-N-[4-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC2=NC(=NC=C2C[C@H]1NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

DOS

IR

Vibrations