Geometry & MOs

Info

ID:

427047

PubChem CID:

135155246

Reduced:

SN3O4F5C30H32 (1)

Stoich.:

AB3C4D5E30F32 (1)

Weight, g/mol:

627.1578

ΔHf, kcal/mol:

-383.76

Dipole, Da:

9.55

IP(EA), eV:

 -9.3(-1.15)

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-(2-ethylbutoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@@H](C(=O)N4CCC(CC4)N)C(C5=CC=C(C=C5)C(F)(F)F)(F)F

DOS

IR

Vibrations