Geometry & MOs

Info

ID:	66895
PubChem CID:	46505475
Reduced:	S2O3N4C28H36 (1)
Stoich.:	A2B3C4D28E36 (1)
Weight, g/mol:	522.266462
ΔH_f, kcal/mol:	-77.59
Dipole, Da:	5.89
IP(EA), eV:	-8.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCN3CCC(CC3)C)C4=CC(=CC=C4)SC

DOS

IR

Vibrations