Geometry & MOs

Info

ID:	66171
PubChem CID:	46500374
Reduced:	FSN3O3C22H22 (1)
Stoich.:	ABC3D3E22F22 (1)
Weight, g/mol:	365.083413
ΔH_f, kcal/mol:	-65.22
Dipole, Da:	2.88
IP(EA), eV:	-8.44(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/2\C(=O)N=C(S2)N3CCN(CC3)C4=CC=C(C=C4)F)OC

DOS

IR

Vibrations