Geometry & MOs

Info

ID:	66884
PubChem CID:	46505453
Reduced:	ClSN4O4C20H21 (1)
Stoich.:	ABC4D4E20F21 (1)
Weight, g/mol:	500.155198
ΔH_f, kcal/mol:	-107.75
Dipole, Da:	5.66
IP(EA), eV:	-9.05(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamidoethyl)-1-(3-methylsulfanylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NCCN1C(C(=O)N(C1=S)CC2=CC=CO2)CC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations