Geometry & MOs

Info

ID:

434634

PubChem CID:

135175375

Reduced:

BrSN2F3O4C29H30 (1)

Stoich.:

ABC2D3E4F29G30 (1)

Weight, g/mol:

637.08577

ΔHf, kcal/mol:

-253.65

Dipole, Da:

5.48

IP(EA), eV:

 -9.6(-0.79)

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

Drug info:

PubChemData

Smile

CCC1CCC(N1C(=O)C(C(C2=CC=C(C=C2)Br)(F)F)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)F)CC

DOS

IR

Vibrations