Geometry & MOs

Info

ID:

401202

PubChem CID:

135050557

Reduced:

NSiO4C21H39 (2)

Stoich.:

ABC4D21E39 (2)

Weight, g/mol:

390.259022

ΔHf, kcal/mol:

-510.67

Dipole, Da:

4.14

IP(EA), eV:

 -8.9(0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1C[C@](OC(O1)(C)C)(C[C@H]2C[C@@H](OC(O2)(C)C)C[C@@]3(C[C@H](OC(O3)(C)C)CO[Si](C(C)C)(C(C)C)C(C)C)C#N)C#N

DOS

IR

Vibrations