Geometry & MOs

Info

ID:

427074

PubChem CID:

135155370

Reduced:

N3O6C21H25 (1)

Stoich.:

A3B6C21D25 (1)

Weight, g/mol:

675.257849

ΔHf, kcal/mol:

-112.65

Dipole, Da:

5.92

IP(EA), eV:

 -8.77(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-(3-phenoxyphenyl)propan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C2=C(C=CC=N2)C(=O)OC)[N+](=O)[O-])OCCCN3CCCC3

DOS

IR

Vibrations