Geometry & MOs

Info

ID:	66988
PubChem CID:	46505647
Reduced:	ClSO2N5C24H28 (1)
Stoich.:	ABC2D5E24F28 (1)
Weight, g/mol:	519.126252
ΔH_f, kcal/mol:	-24.46
Dipole, Da:	2.51
IP(EA), eV:	-8.53(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCN2C(C(=O)N(C2=S)C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations