Geometry & MOs

Info

ID:

219213

PubChem CID:

85091713

Reduced:

O19C38H40 (1)

Stoich.:

A19B38C40 (1)

Weight, g/mol:

800.273894

ΔHf, kcal/mol:

-705.23

Dipole, Da:

9.11

IP(EA), eV:

 -9.21(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)C6C(C(C(C(O6)CO)O)O)O)O)O)O

DOS

IR

Vibrations