Geometry & MOs

Info

ID:	66907
PubChem CID:	46505494
Reduced:	SN4O4C31H42 (1)
Stoich.:	AB4C4D31E42 (1)
Weight, g/mol:	536.282112
ΔH_f, kcal/mol:	-134.02
Dipole, Da:	1.45
IP(EA), eV:	-8.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methylphenyl)-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)OCC

DOS

IR

Vibrations