Geometry & MOs

Info

ID:

400867

PubChem CID:

135049302

Reduced:

BO3C14H19 (1)

Stoich.:

AB3C14D19 (1)

Weight, g/mol:

533.984179

ΔHf, kcal/mol:

-165.56

Dipole, Da:

1.05

IP(EA), eV:

 -9.4(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5S)-4-acetyloxy-2-[(4,6-dihydroxy-4,6-dioxo-1,3,5,2,4lambda5,6lambda5-trioxatriphosphinan-2-yl)oxymethyl]-5-(2,4-dioxo-1H-pyrimidin-6-yl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

B([C@H]1C[C@@H]2C3=CC=CC=C3[C@H]1O2)(OCC)OCC

DOS

IR

Vibrations