Geometry & MOs

Info

ID:	88014
PubChem CID:	49899774
Reduced:	INCl2S2O6H18C25 (1)
Stoich.:	ABC2D2E6F18G25 (1)
Weight, g/mol:	491.072485
ΔH_f, kcal/mol:	-142.28
Dipole, Da:	8.28
IP(EA), eV:	-8.98(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,4-diethoxy-5-prop-2-enylphenyl)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=CC=C3Cl)Cl)I)OS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations