Geometry & MOs

Info

ID:

382644

PubChem CID:

134973920

Reduced:

O7H50C57 (1)

Stoich.:

A7B50C57 (1)

Weight, g/mol:

320.053217

ΔHf, kcal/mol:

-70.67

Dipole, Da:

3.57

IP(EA), eV:

 -8.38(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-3,4-dihydro-2H-chromene-7,8-dione

Drug info:

PubChemData

Smile

C1[C@@H](C(OC2=CC(=C(C(=C21)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C6=CC(=C(C=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

DOS

IR

Vibrations