Geometry & MOs

Info

ID:	158635
PubChem CID:	56464352
Reduced:	SO3N5C20H29 (1)
Stoich.:	AB3C5D20E29 (1)
Weight, g/mol:	496.19444
ΔH_f, kcal/mol:	-71.47
Dipole, Da:	4.7
IP(EA), eV:	-8.4(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]benzamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CN(C(=C1)C(=O)NC(CN2CCN(CC2)C)C3=CC=CC=C3)C

DOS

IR

Vibrations