Geometry & MOs

Info

ID:	144330
PubChem CID:	53350897
Reduced:	ClN2O2C10H16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	477.03217
ΔH_f, kcal/mol:	-24.57
Dipole, Da:	4.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784123
Charge, e:	-1

Chem-info

IUPAC name:

2-chloro-5-[(4-chlorophenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCCN)OCCN.[Cl-]

DOS

IR

Vibrations