Geometry & MOs

Info

ID:	162221
PubChem CID:	57393981
Reduced:	SN2O3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	333.01295
ΔH_f, kcal/mol:	-32.89
Dipole, Da:	4.5
IP(EA), eV:	-9.07(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(2,3-dihydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)S(=O)(=O)/C=C/C#N)C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations