Geometry & MOs

Info

ID:

133032

PubChem CID:

51465175

Reduced:

OF3N4C26H27 (1)

Stoich.:

AB3C4D26E27 (1)

Weight, g/mol:

523.199488

ΔHf, kcal/mol:

-123.9

Dipole, Da:

5.47

IP(EA), eV:

 -9.23(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-[(1S,2S,6S,7R,8S)-3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzoate

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]2[C@@H]1N(CCC2)C(=O)C3=NN4C(=C3)N=C5C(=C4C(F)(F)F)CCC6=CC=CC=C65

DOS

IR

Vibrations