Geometry & MOs

Info

ID:	66991
PubChem CID:	46505655
Reduced:	SN4O4C27H34 (1)
Stoich.:	AB4C4D27E34 (1)
Weight, g/mol:	494.235162
ΔH_f, kcal/mol:	-108.08
Dipole, Da:	4.42
IP(EA), eV:	-8.55(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCCCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations