Geometry & MOs

Info

ID:	58907
PubChem CID:	24715422
Reduced:	FO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	269.052193
ΔH_f, kcal/mol:	-72.27
Dipole, Da:	4.91
IP(EA), eV:	-9.56(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C1C(NC(C2=C1NC=N2)C3=CC(=CC=C3)F)C(=O)O

DOS

IR

Vibrations