Geometry & MOs

Info

ID:	66976
PubChem CID:	46505625
Reduced:	ClSN4O4C24H27 (1)
Stoich.:	ABC4D4E24F27 (1)
Weight, g/mol:	525.240976
ΔH_f, kcal/mol:	-129.6
Dipole, Da:	4.09
IP(EA), eV:	-8.44(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCNC(=O)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations