Geometry & MOs

Info

ID:	293169
PubChem CID:	117375513
Reduced:	FNSO4C9H12 (1)
Stoich.:	ABCD4E9F12 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-171.07
Dipole, Da:	8.23
IP(EA), eV:	-9.88(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyano-2-hydroxy-3-methoxyphenyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CNO)F)S(=O)(=O)C

DOS

IR

Vibrations