Geometry & MOs

Info

ID:	66910
PubChem CID:	46505498
Reduced:	ClSO3N5C27H34 (1)
Stoich.:	ABC3D5E27F34 (1)
Weight, g/mol:	547.157552
ΔH_f, kcal/mol:	-73.6
Dipole, Da:	5.97
IP(EA), eV:	-8.45(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)OC)CC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations