Geometry & MOs

Info

ID:

434941

PubChem CID:

135176039

Reduced:

SF2N3O7C40H49 (1)

Stoich.:

AB2C3D7E40F49 (1)

Weight, g/mol:

653.273499

ΔHf, kcal/mol:

-367.94

Dipole, Da:

8.19

IP(EA), eV:

 -9.01(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-(4-phenoxyphenyl)propan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC=C(C=C3)OC4=CC=CC=C4)(F)F)NS(=O)(=O)C5=CC=C(C=C5)OCC6CCCCC6

DOS

IR

Vibrations