Geometry & MOs

Info

ID:	294244
PubChem CID:	117440009
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	276.046773
ΔH_f, kcal/mol:	-114.5
Dipole, Da:	4.09
IP(EA), eV:	-8.27(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(C=C(O3)C)C(=C2O1)OC)C(CO)N

DOS

IR

Vibrations