Geometry & MOs

Info

ID:	66328
PubChem CID:	46504323
Reduced:	FSO3N4C35H41 (1)
Stoich.:	ABC3D4E35F41 (1)
Weight, g/mol:	528.19619
ΔH_f, kcal/mol:	-106.4
Dipole, Da:	0.97
IP(EA), eV:	-8.38(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-chlorophenyl)-5-oxo-3-(3-piperidin-1-ylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCC(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)F

DOS

IR

Vibrations