Geometry & MOs

Info

ID:	288956
PubChem CID:	104328923
Reduced:	FNSO2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	222.04407
ΔH_f, kcal/mol:	-43.88
Dipole, Da:	1.23
IP(EA), eV:	-9.47(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-2-methylphenyl)-1,3,4-oxadiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NCC2=CC=C(S2)C#CCO

DOS

IR

Vibrations