Geometry & MOs

Info

ID:	87984
PubChem CID:	49899370
Reduced:	INSCl2O3H10C17 (1)
Stoich.:	ABCD2E3F10G17 (1)
Weight, g/mol:	430.97614
ΔH_f, kcal/mol:	-60.97
Dipole, Da:	3.68
IP(EA), eV:	-9.56(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)O)I)/SC2=O)Cl)Cl

DOS

IR

Vibrations