Geometry & MOs

Info

ID:	88295
PubChem CID:	49902802
Reduced:	NCl2S2O5H17C27 (1)
Stoich.:	AB2C2D5E17F27 (1)
Weight, g/mol:	586.92629
ΔH_f, kcal/mol:	-108.56
Dipole, Da:	1.06
IP(EA), eV:	-9.04(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(3,4-diethoxy-5-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=CC=C4)Cl)OS(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations