Geometry & MOs

Info

ID:

434942

PubChem CID:

135176040

Reduced:

SF2N3O5C35H41 (1)

Stoich.:

AB2C3D5E35F41 (1)

Weight, g/mol:

653.273499

ΔHf, kcal/mol:

-247.59

Dipole, Da:

5.61

IP(EA), eV:

 -9.21(-0.4)

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-(4-phenoxyphenyl)propan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)N[C@H](C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)OC6=CC=CC=C6)(F)F

DOS

IR

Vibrations