Geometry & MOs

Info

ID:

164638

PubChem CID:

74429596

Reduced:

SiO9C72H88 (1)

Stoich.:

AB9C72D88 (1)

Weight, g/mol:

646.314183

ΔHf, kcal/mol:

-367.39

Dipole, Da:

5.8

IP(EA), eV:

 -8.85(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[10-(3,7-dimethylocta-2,6-dienyl)-11-hydroxy-7-(2-hydroxypropan-2-yl)-20,20-dimethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC6C(C(C(CO6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)C)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C

DOS

IR

Vibrations