Geometry & MOs

Info

ID:

407587

PubChem CID:

135080335

Reduced:

SO2C14H18 (1)

Stoich.:

AB2C14D18 (1)

Weight, g/mol:

242.070796

ΔHf, kcal/mol:

-42.63

Dipole, Da:

6.7

IP(EA), eV:

-9.99(-0.45)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

5-[hydroxy(phenyl)phosphoryl]pentanoic acid

Drug info:

PubChemData

Smile

CCCCC(=C=CC)S(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations