Geometry & MOs

Info

ID:

52781

PubChem CID:

12015949

Reduced:

SiO5C38H52 (1)

Stoich.:

AB5C38D52 (1)

Weight, g/mol:

628.358401

ΔHf, kcal/mol:

-125.09

Dipole, Da:

3.46

IP(EA), eV:

 -9.14(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3S,7S,8Z,10R,11S,12R)-2,8,11,18-tetramethyl-13-oxo-4-oxatetracyclo[9.4.3.01,12.03,7]octadec-8-en-10-yl] 2-[tert-butyl(diphenyl)silyl]oxyacetate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@](C[C@H]([C@@]2([C@H]3[C@@]1(CCC2C)CCC3=O)C)OC(=O)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)(C)C=C)O

DOS

IR

Vibrations