Geometry & MOs

Info

ID:	158406
PubChem CID:	56463581
Reduced:	SO3N5C21H29 (1)
Stoich.:	AB3C5D21E29 (1)
Weight, g/mol:	460.214427
ΔH_f, kcal/mol:	-43.54
Dipole, Da:	5.41
IP(EA), eV:	-8.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CSCC(=O)NC(CN2CCN(CC2)C)C3=CC=CC=C3

DOS

IR

Vibrations