Geometry & MOs

Info

ID:	158463
PubChem CID:	56463706
Reduced:	SO2N4C25H30 (1)
Stoich.:	AB2C4D25E30 (1)
Weight, g/mol:	492.219512
ΔH_f, kcal/mol:	-5.99
Dipole, Da:	4.28
IP(EA), eV:	-8.29(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)NC(CN3CCN(CC3)C)C4=CC=CC=C4

DOS

IR

Vibrations