Geometry & MOs

Info

ID:

215502

PubChem CID:

85084829

Reduced:

O5C28H36 (1)

Stoich.:

A5B28C36 (1)

Weight, g/mol:

970.233164

ΔHf, kcal/mol:

-207.59

Dipole, Da:

7.65

IP(EA), eV:

-9.23(-0.73)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[2-acetyloxy-3-[3-[6-[[[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropoxy]-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=C(C)O)C(=O)C

DOS

IR

Vibrations