Geometry & MOs

Info

ID:

16410

PubChem CID:

467305

Reduced:

O18H30C37 (1)

Stoich.:

A18B30C37 (1)

Weight, g/mol:

762.143214

ΔHf, kcal/mol:

-657.37

Dipole, Da:

4.72

IP(EA), eV:

 -8.85(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

Drug info:

PubChemData

Smile

C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O

DOS

IR

Vibrations