Geometry & MOs

Info

ID:

434758

PubChem CID:

135175649

Reduced:

BrSF2N3O4C32H36 (1)

Stoich.:

ABC2D3E4F32G36 (1)

Weight, g/mol:

675.1578

ΔHf, kcal/mol:

-216.64

Dipole, Da:

5.62

IP(EA), eV:

 -9.08(-0.9)

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-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclohexyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@H](C(=O)N4C5CCC4CC(C5)N)C(C6=CC=C(C=C6)Br)(F)F

DOS

IR

Vibrations