Geometry & MOs

Info

ID:	88011
PubChem CID:	49899726
Reduced:	INSCl2O2H10C17 (1)
Stoich.:	ABCD2E2F10G17 (1)
Weight, g/mol:	446.989898
ΔH_f, kcal/mol:	-16.03
Dipole, Da:	3.49
IP(EA), eV:	-9.5(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,6-dichlorophenyl)methyl]-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl)I

DOS

IR

Vibrations