Geometry & MOs

Info

ID:

427051

PubChem CID:

135155252

Reduced:

ClFN2O2C20H24 (1)

Stoich.:

ABC2D2E20F24 (1)

Weight, g/mol:

747.240148

ΔHf, kcal/mol:

-98.86

Dipole, Da:

8.61

IP(EA), eV:

 -8.85(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-(4-phenylphenyl)propan-2-yl]-6-propan-2-yloxynaphthalene-2-sulfonamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

COC1=CC2=C3C(CCC3=C(N=C2C(=C1)F)Cl)OCCCN4CCCC4

DOS

IR

Vibrations