Geometry & MOs

Info

ID:

381694

PubChem CID:

134972498

Reduced:

NCl3O11C44H46 (1)

Stoich.:

AB3C11D44E46 (1)

Weight, g/mol:

303.147058

ΔHf, kcal/mol:

-363.38

Dipole, Da:

8.4

IP(EA), eV:

 -9.29(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,3S,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Drug info:

PubChemData

Smile

CC1[C@@H](C(C([C@@H](O1)OC2[C@H](C(O[C@H](C2OC(=O)C3=CC=CC=C3)OC(=N)C(Cl)(Cl)Cl)C)OC(=O)C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations