Geometry & MOs

Info

ID:

621

PubChem CID:

3096

Reduced:

O15C28H32 (1)

Stoich.:

A15B28C32 (1)

Weight, g/mol:

608.17412

ΔHf, kcal/mol:

-591.99

Dipole, Da:

6.32

IP(EA), eV:

 -9.1(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=O)C4=C(C=C(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O

DOS

IR

Vibrations