Geometry & MOs

Info

ID:

132702

PubChem CID:

51402801

Reduced:

O12H20C21 (1)

Stoich.:

A12B20C21 (1)

Weight, g/mol:

448.100561

ΔHf, kcal/mol:

-449.87

Dipole, Da:

10.04

IP(EA), eV:

 -9.49(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O[C@H]4[C@@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)O

DOS

IR

Vibrations