Geometry & MOs

Info

ID:

16781

PubChem CID:

476783

Reduced:

O13H26C30 (1)

Stoich.:

A13B26C30 (1)

Weight, g/mol:

594.137341

ΔHf, kcal/mol:

-479.6

Dipole, Da:

7.4

IP(EA), eV:

 -8.75(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Drug info:

PubChemData

Smile

C1[C@H]([C@H](OC2=C1C(=CC(=C2C3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O

DOS

IR

Vibrations