Geometry & MOs

Info

ID:

228906

PubChem CID:

87566180

Reduced:

SO7H10C11 (1)

Stoich.:

AB7C10D11 (1)

Weight, g/mol:

672.046898

ΔHf, kcal/mol:

-253.36

Dipole, Da:

10.94

IP(EA), eV:

 -10.81(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R)-2,3-dihydroxy-4-oxobutyl] [(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-phosphonooxyhexyl] hydrogen phosphate;[(2R,3S)-2,3,5-trihydroxy-4-oxopentyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C/C(=O)O)/C(=O)O

DOS

IR

Vibrations