Geometry & MOs

Info

ID:	66975
PubChem CID:	46505622
Reduced:	S2O3N5C29H39 (1)
Stoich.:	A2B3C5D29E39 (1)
Weight, g/mol:	502.144154
ΔH_f, kcal/mol:	-71.03
Dipole, Da:	3.93
IP(EA), eV:	-8.43(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)C)C4=CC(=CC=C4)SC

DOS

IR

Vibrations