Geometry & MOs

Info

ID:

434568

PubChem CID:

135175241

Reduced:

BrSF2N3O4C32H36 (1)

Stoich.:

ABC2D3E4F32G36 (1)

Weight, g/mol:

649.14215

ΔHf, kcal/mol:

-215.54

Dipole, Da:

8.12

IP(EA), eV:

 -8.98(-0.84)

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]-N-methyl-6-propan-2-yloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CN(C(C(=O)N1C2CCC1CC(C2)N)C(C3=CC=C(C=C3)Br)(F)F)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6

DOS

IR

Vibrations