Geometry & MOs

Info

ID:

222157

PubChem CID:

85294822

Reduced:

O11C36H61 (2)

Stoich.:

A11B36C61 (2)

Weight, g/mol:

1342.832636

ΔHf, kcal/mol:

-1086.98

Dipole, Da:

12.56

IP(EA), eV:

 -9.71(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-2-yl]methyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-(trityloxymethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]-4-hydroxy-3,5-dimethylhept-6-en-2-one

Drug info:

PubChemData

Smile

CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(=O)OCC(C(COC(=O)C(C)C5CCC6C5(CCC7C6CCC8C7(CCC(C8)O)C)C)OC(=O)COCCOCCOCCOCCOCCO)OC(=O)COCCOCCOCCOCCOCCO

DOS

IR

Vibrations