Geometry & MOs

Info

ID:

218898

PubChem CID:

85090131

Reduced:

O9H20C30 (1)

Stoich.:

A9B20C30 (1)

Weight, g/mol:

524.189376

ΔHf, kcal/mol:

-257.88

Dipole, Da:

3.87

IP(EA), eV:

 -8.81(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-trihydroxy-6-[[3-(hydroxymethyl)-5-methyl-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methoxy]oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C3=C2OC(=C3C(=O)C4=C(C=C(C=C4)O)O)C5=CC=C(C=C5)O)O)O)O

DOS

IR

Vibrations