Geometry & MOs

Info

ID:	66172
PubChem CID:	46500375
Reduced:	SN3O3H15C19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	442.99393
ΔH_f, kcal/mol:	-30.14
Dipole, Da:	4.79
IP(EA), eV:	-8.84(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)/C(=C/3\C4=CC=CC=C4NC3=O)/NC2=S

DOS

IR

Vibrations