Geometry & MOs

Info

ID:

439470

PubChem CID:

135229244

Reduced:

O2H19C20 (4)

Stoich.:

A2B19C20 (4)

Weight, g/mol:

580.179206

ΔHf, kcal/mol:

51.21

Dipole, Da:

2.45

IP(EA), eV:

 -8.12(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(2S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

C=CCOC1=CC=C(C=C1)C2=CC(=C(C=C2)OCC=C)C(C3=CC=C(C=C3)C(C4=C(C=CC(=C4)C5=CC=C(C=C5)OCC=C)OCC=C)/C(=C/C(=C\C=C)/C6=CC=C(C=C6)OCC=C)/OCC=C)C7=C(C=CC(=C7)C8=CC=C(C=C8)OCC=C)OCC=C

DOS

IR

Vibrations