Geometry & MOs

Info

ID:

229791

PubChem CID:

87569054

Reduced:

CoSO3C6H6 (1)

Stoich.:

ABC3D6E6 (1)

Weight, g/mol:

532.324748

ΔHf, kcal/mol:

-60.06

Dipole, Da:

4.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.866406

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]-2-octadecanoyloxybutanedioic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)O.[Co]

DOS

IR

Vibrations