Geometry & MOs

Info

ID:	182611
PubChem CID:	76914277
Reduced:	FSN4O4C11H15 (1)
Stoich.:	ABC4D4E11F15 (1)
Weight, g/mol:	286.084124
ΔH_f, kcal/mol:	-88.01
Dipole, Da:	2.07
IP(EA), eV:	-8.96(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid

Drug info:

PubChemData

Smile

CC1C(C(NN1)C)NS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations