Geometry & MOs

Info

ID:	158303
PubChem CID:	56463325
Reduced:	SO3N4C22H30 (1)
Stoich.:	AB3C4D22E30 (1)
Weight, g/mol:	449.279075
ΔH_f, kcal/mol:	-71.35
Dipole, Da:	8.78
IP(EA), eV:	-8.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations