Geometry & MOs

Info

ID:

386686

PubChem CID:

134982536

Reduced:

O3H20C23 (1)

Stoich.:

A3B20C23 (1)

Weight, g/mol:

912.53289

ΔHf, kcal/mol:

8.37

Dipole, Da:

1.81

IP(EA), eV:

 -8.44(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11Z)-24,30,36,41-tetratert-butyl-3,6,17,20-tetraoxaoctacyclo[20.15.7.27,10.213,16.128,32.139,43.02,34.021,26]pentaconta-1,7,9,11,13,15,21,23,25,28(46),29,31,34,36,39,41,43(45),47,49-nonadecaene-45,46-diol

Drug info:

PubChemData

Smile

COC1=C2C=C(/C=C\C3=CC(=CC=C3)OCC4=CC=CC=C4CO2)C=C1

DOS

IR

Vibrations