Geometry & MOs

Info

ID:

15496

PubChem CID:

442692

Reduced:

O11H14C17 (2)

Stoich.:

A11B14C17 (2)

Weight, g/mol:

788.107223

ΔHf, kcal/mol:

-819.78

Dipole, Da:

4.56

IP(EA), eV:

 -9.14(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1O)O)O)C(=O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)CO

DOS

IR

Vibrations