Geometry & MOs

Info

ID:	86956
PubChem CID:	49890245
Reduced:	INSCl3O5H15C25 (1)
Stoich.:	ABCD3E5F15G25 (1)
Weight, g/mol:	408.95837
ΔH_f, kcal/mol:	-109.19
Dipole, Da:	4.81
IP(EA), eV:	-9.45(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)I)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations