Geometry & MOs

Info

ID:

1814

PubChem CID:

5112

Reduced:

O16C27H30 (1)

Stoich.:

A16B27C30 (1)

Weight, g/mol:

610.153385

ΔHf, kcal/mol:

-614.42

Dipole, Da:

7.27

IP(EA), eV:

 -9.04(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-7-one

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=O)C=C(C4=C3O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O

DOS

IR

Vibrations