Geometry & MOs

Info

ID:	66908
PubChem CID:	46505495
Reduced:	SO3N4C30H40 (1)
Stoich.:	AB3C4D30E40 (1)
Weight, g/mol:	556.22749
ΔH_f, kcal/mol:	-99.04
Dipole, Da:	0.78
IP(EA), eV:	-8.32(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]-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)N2CCCN3CCC(CC3)C)C4=CC=C(C=C4)C

DOS

IR

Vibrations