Geometry & MOs

Info

ID:	158464
PubChem CID:	56463707
Reduced:	SO3N4C27H32 (1)
Stoich.:	AB3C4D27E32 (1)
Weight, g/mol:	478.203862
ΔH_f, kcal/mol:	-49.45
Dipole, Da:	7.35
IP(EA), eV:	-8.23(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CN3CCN(CC3)C)C4=CC=CC=C4

DOS

IR

Vibrations