Geometry & MOs

Info

ID:	205118
PubChem CID:	80058309
Reduced:	FNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	284.015473
ΔH_f, kcal/mol:	-84.51
Dipole, Da:	4.49
IP(EA), eV:	-9.04(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-fluorophenyl)sulfonylmethyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC(=C1)F)OCC2=CC=CC=N2)O

DOS

IR

Vibrations