Geometry & MOs

Info

ID:

170007

PubChem CID:

75180363

Reduced:

N3O8C34H45 (1)

Stoich.:

A3B8C34D45 (1)

Weight, g/mol:

708.20542

ΔHf, kcal/mol:

-203.72

Dipole, Da:

4.59

IP(EA), eV:

 -8.74(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,3-dihydroxy-3-[4-[3-(4-hydroxybenzoyl)oxy-1-(3-hydroxy-2,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3,5-dimethoxyphenyl]propyl] 4-hydroxybenzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC(=O)C=CC2=CC(=C(C(=C2)OC)OCC3=CN(N=N3)CCCCCCCCCO)OC

DOS

IR

Vibrations