Geometry & MOs

Info

ID:

127891

PubChem CID:

51021538

Reduced:

O15C53H84 (1)

Stoich.:

A15B53C84 (1)

Weight, g/mol:

359.228056

ΔHf, kcal/mol:

-654.29

Dipole, Da:

5.62

IP(EA), eV:

 -9.36(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)O[C@H]1[C@H]([C@]2(O[C@H]([C@@]([C@@]1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)OC(C)(C)OC

DOS

IR

Vibrations