Geometry & MOs

Info

ID:	294493
PubChem CID:	117464294
Reduced:	ClFNO5H7C11 (1)
Stoich.:	ABCD5E7F11 (1)
Weight, g/mol:	286.999678
ΔH_f, kcal/mol:	-150.6
Dipole, Da:	1.85
IP(EA), eV:	-8.74(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(/C(=C\2/C=C(NO2)C(=O)O)/C1=O)F)Cl

DOS

IR

Vibrations