Geometry & MOs

Info

ID:	88071
PubChem CID:	49900488
Reduced:	SCl2N2O2H10C18 (1)
Stoich.:	AB2C2D2E10F18 (1)
Weight, g/mol:	392.99932
ΔH_f, kcal/mol:	0.24
Dipole, Da:	3.49
IP(EA), eV:	-9.8(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,6-dichlorophenyl)methyl]-5-[(2-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CN2C(=O)/C(=C/C3=CC=C(C=C3)C#N)/SC2=O)Cl

DOS

IR

Vibrations