Geometry & MOs

Info

ID:	66896
PubChem CID:	46505478
Reduced:	SO3N4C29H38 (1)
Stoich.:	AB3C4D29E38 (1)
Weight, g/mol:	580.271942
ΔH_f, kcal/mol:	-93.68
Dipole, Da:	4.36
IP(EA), eV:	-8.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCN3CCC(CC3)C)C4=CC=C(C=C4)C

DOS

IR

Vibrations