Geometry & MOs

Info

ID:

434664

PubChem CID:

135175453

Reduced:

BrSF2N3O4C29H30 (1)

Stoich.:

ABC2D3E4F29G30 (1)

Weight, g/mol:

633.11085

ΔHf, kcal/mol:

-106.51

Dipole, Da:

8.24

IP(EA), eV:

 -9.44(-0.64)

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]-4-phenylmethoxybenzenesulfonamide

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)[C@H](C(C3=CC=C(C=C3)Br)(F)F)NS(=O)(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)N

DOS

IR

Vibrations