Geometry & MOs

Info

ID:	60606
PubChem CID:	26697263
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	436.146166
ΔH_f, kcal/mol:	-108.4
Dipole, Da:	5.87
IP(EA), eV:	-8.45(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-chloro-N-(4-ethylphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)OC(C)C

DOS

IR

Vibrations