Geometry & MOs

Info

ID:	66852
PubChem CID:	46505378
Reduced:	ClSN4O5C24H25 (1)
Stoich.:	ABC4D5E24F25 (1)
Weight, g/mol:	474.112854
ΔH_f, kcal/mol:	-173.61
Dipole, Da:	7.02
IP(EA), eV:	-9.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamidoethyl)-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations