Geometry & MOs

Info

ID:

434570

PubChem CID:

135175243

Reduced:

BrSF2N3O6C35H42 (1)

Stoich.:

ABC2D3E6F35G42 (1)

Weight, g/mol:

649.14215

ΔHf, kcal/mol:

-328.92

Dipole, Da:

10.91

IP(EA), eV:

 -9.27(-1.09)

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N(C)C(C(=O)N3C4CCC3CC(C4)NC(=O)OC(C)(C)C)C(C5=CC=C(C=C5)Br)(F)F

DOS

IR

Vibrations