Geometry & MOs

Info

ID:	337389
PubChem CID:	127257074
Reduced:	NO2S2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	267.000157
ΔH_f, kcal/mol:	-36.57
Dipole, Da:	2.25
IP(EA), eV:	-8.88(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CSCN1C(=O)OCC2=CC=CCC2=S

DOS

IR

Vibrations