Geometry & MOs

Info

ID:

45087

PubChem CID:

10507862

Reduced:

PSiO11C27H45 (1)

Stoich.:

ABC11D27E45 (1)

Weight, g/mol:

606.539865

ΔHf, kcal/mol:

-574.85

Dipole, Da:

2.89

IP(EA), eV:

 -9.66(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[(4S)-1-[[(4S)-4-[tert-butyl(dimethyl)silyl]oxyheptyl]-[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]boranyl]heptan-4-yl]oxy-dimethylsilane

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)O/C(=C(/CCC#C[Si](C)(C)C)\C(=O)O[C@@H]1[C@@H]2[C@H](CO[C@@]13COC(O3)(C)C)OC(O2)(C)C)/C

DOS

IR

Vibrations