Geometry & MOs

Info

ID:

82452

PubChem CID:

49856048

Reduced:

O15C25H26 (1)

Stoich.:

A15B25C26 (1)

Weight, g/mol:

566.12717

ΔHf, kcal/mol:

-573.55

Dipole, Da:

6.3

IP(EA), eV:

 -9.28(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)O

DOS

IR

Vibrations