Geometry & MOs

Info

ID:

399784

PubChem CID:

135042659

Reduced:

SO2H13C16 (1)

Stoich.:

AB2C13D16 (1)

Weight, g/mol:

224.084872

ΔHf, kcal/mol:

22.75

Dipole, Da:

1.45

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.852111

Charge, e:

 0

Chem-info

IUPAC name:

4-fluoro-3-[(E)-2-methylbut-2-enoxy]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)[C+]=C(C1=CC=CC=C1)SC2=CC=CC=C2

DOS

IR

Vibrations