Geometry & MOs

Info

ID:	158302
PubChem CID:	56463324
Reduced:	SN4O5C24H34 (1)
Stoich.:	AB4C5D24E34 (1)
Weight, g/mol:	430.203862
ΔH_f, kcal/mol:	-149.85
Dipole, Da:	6.83
IP(EA), eV:	-8.3(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)CCNS(=O)(=O)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations