Geometry & MOs

Info

ID:

220945

PubChem CID:

85244572

Reduced:

NF3O6H24C26 (1)

Stoich.:

AB3C6D24E26 (1)

Weight, g/mol:

503.130876

ΔHf, kcal/mol:

-308.29

Dipole, Da:

4.68

IP(EA), eV:

 -8.78(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CC(CCOC1=CC2=C(C=C1)C(=C3C=COC3=N2)OC)OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC

DOS

IR

Vibrations