Geometry & MOs

Info

ID:	66909
PubChem CID:	46505497
Reduced:	ClSO3N4C29H37 (1)
Stoich.:	ABC3D4E29F37 (1)
Weight, g/mol:	543.207089
ΔH_f, kcal/mol:	-97.4
Dipole, Da:	0.89
IP(EA), eV:	-8.48(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCC(CC3)C)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations