Geometry & MOs

Info

ID:	87545
PubChem CID:	49895296
Reduced:	NCl2S2O6H21C26 (1)
Stoich.:	AB2C2D6E21F26 (1)
Weight, g/mol:	431.97794
ΔH_f, kcal/mol:	-176.25
Dipole, Da:	3.96
IP(EA), eV:	-9.0(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-bromo-3-nitrophenyl)methylidene]-3-[(2-methylphenyl)methyl]-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=CC=CC(=C3)C)Cl)OS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations