Geometry & MOs

Info

ID:	87175
PubChem CID:	49892899
Reduced:	INCl2S2O6H18C25 (1)
Stoich.:	ABC2D2E6F18G25 (1)
Weight, g/mol:	382.960826
ΔH_f, kcal/mol:	-144.93
Dipole, Da:	7.58
IP(EA), eV:	-9.0(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)I)OS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations