Geometry & MOs

Info

ID:

47096

PubChem CID:

10529544

Reduced:

NF3O6C26H26 (1)

Stoich.:

AB3C6D26E26 (1)

Weight, g/mol:

504.14438

ΔHf, kcal/mol:

-354.48

Dipole, Da:

4.78

IP(EA), eV:

 -9.76(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S,6R)-2-bromo-6-[(S)-[tert-butyl(dimethyl)silyl]oxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1[C@H]2CC[C@H](N2C(=O)[C@@](C3=CC=CC=C3)(C(F)(F)F)OC)C[C@@H]1OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations