Geometry & MOs

Info

ID:	87287
PubChem CID:	49893704
Reduced:	ClSN2O4H13C18 (1)
Stoich.:	ABC2D4E13F18 (1)
Weight, g/mol:	576.87056
ΔH_f, kcal/mol:	-37.11
Dipole, Da:	5.23
IP(EA), eV:	-9.42(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)/SC2=O

DOS

IR

Vibrations