Geometry & MOs

Info

ID:	87651
PubChem CID:	49896284
Reduced:	ClSN2O6H21C26 (1)
Stoich.:	ABC2D6E21F26 (1)
Weight, g/mol:	365.108565
ΔH_f, kcal/mol:	-87.3
Dipole, Da:	6.94
IP(EA), eV:	-9.35(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OCC4=CC(=CC=C4)[N+](=O)[O-])OC)/SC2=O

DOS

IR

Vibrations