Geometry & MOs

Info

ID:

219667

PubChem CID:

85164408

Reduced:

O15C23H32 (1)

Stoich.:

A15B23C32 (1)

Weight, g/mol:

548.189376

ΔHf, kcal/mol:

-634.09

Dipole, Da:

3.41

IP(EA), eV:

 -9.91(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-(3,4-dihydroxyphenyl)acetyl]oxy-5-hydroxy-6-(hydroxymethyl)-2-(4-hydroxy-2-methylbut-2-enoxy)oxan-3-yl] 2-(4-hydroxyphenyl)acetate

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC)COC2(C(C(C(C(O2)CO)O)O)O)C3=CC=CO3

DOS

IR

Vibrations