Geometry & MOs

Info

ID:

16949

PubChem CID:

480883

Reduced:

O18H38C43 (1)

Stoich.:

A18B38C43 (1)

Weight, g/mol:

842.205814

ΔHf, kcal/mol:

-604.23

Dipole, Da:

3.05

IP(EA), eV:

 -8.81(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6S)-3,4,5-tris[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-6-methoxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O

DOS

IR

Vibrations