Geometry & MOs

Info

ID:	124112
PubChem CID:	50872807
Reduced:	NCl2S2O3H17C24 (1)
Stoich.:	AB2C2D3E17F24 (1)
Weight, g/mol:	538.979511
ΔH_f, kcal/mol:	-16.54
Dipole, Da:	3.63
IP(EA), eV:	-8.77(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)/SC2=S

DOS

IR

Vibrations