Geometry & MOs

Info

ID:

434757

PubChem CID:

135175647

Reduced:

BrSF2N3O6C32H38 (1)

Stoich.:

ABC2D3E6F32G38 (1)

Weight, g/mol:

675.1578

ΔHf, kcal/mol:

-334.28

Dipole, Da:

11.04

IP(EA), eV:

 -9.26(-1.1)

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]-6-cyclohexyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)NC(C(=O)N3CCC(CC3)NC(=O)OC(C)(C)C)C(C4=CC=C(C=C4)Br)(F)F

DOS

IR

Vibrations