Geometry & MOs

Info

ID:

434922

PubChem CID:

135176017

Reduced:

SO3F5N5C30H34 (1)

Stoich.:

AB3C5D5E30F34 (1)

Weight, g/mol:

621.09086

ΔHf, kcal/mol:

-313.41

Dipole, Da:

4.69

IP(EA), eV:

 -9.27(-1.07)

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-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-4-(4-fluorophenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(C1)CN2C3=C(C=C(C=C3)S(=O)(=O)N[C@H](C(=O)N4C5CCC4CC(C5)N)C(C6=CC=C(C=C6)C(F)(F)F)(F)F)C=N2

DOS

IR

Vibrations