Geometry & MOs

Info

ID:	124031
PubChem CID:	50870279
Reduced:	NCl2S2O3H15C19 (1)
Stoich.:	AB2C2D3E15F19 (1)
Weight, g/mol:	494.008111
ΔH_f, kcal/mol:	-43.6
Dipole, Da:	4.2
IP(EA), eV:	-8.85(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)/C(=C\C2=CC(=C(C=C2)OC)OCC3=C(C=C(C=C3)Cl)Cl)/SC1=S

DOS

IR

Vibrations