Geometry & MOs

Info

ID:	124113
PubChem CID:	50872808
Reduced:	NCl2O2S2F3H14C24 (1)
Stoich.:	AB2C2D2E3F14G24 (1)
Weight, g/mol:	462.067212
ΔH_f, kcal/mol:	-137.91
Dipole, Da:	5.11
IP(EA), eV:	-9.01(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)/SC2=S)C(F)(F)F

DOS

IR

Vibrations