Geometry & MOs

Info

ID:

13825

PubChem CID:

398983

Reduced:

O15C28H36 (1)

Stoich.:

A15B28C36 (1)

Weight, g/mol:

612.20542

ΔHf, kcal/mol:

-607.54

Dipole, Da:

8.87

IP(EA), eV:

 -8.91(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)C(=O)OCC2(COC(C2O)OC3C(C(C(OC3OCCC4=CC=C(C=C4)O)CO)O)O)O

DOS

IR

Vibrations