Geometry & MOs

Info

ID:	293353
PubChem CID:	117385259
Reduced:	NF2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	253.020892
ΔH_f, kcal/mol:	-137.18
Dipole, Da:	4.28
IP(EA), eV:	-9.39(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-4-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2(CCCC2)N=C=O)F)F

DOS

IR

Vibrations