Geometry & MOs

Info

ID:

434932

PubChem CID:

135176029

Reduced:

BrF2N3O3C24H34 (1)

Stoich.:

AB2C3D3E24F34 (1)

Weight, g/mol:

631.208312

ΔHf, kcal/mol:

-243.01

Dipole, Da:

5.44

IP(EA), eV:

 -9.26(-0.49)

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-chlorophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CCN(C)C(C(=O)N1C2CCC1CC(C2)NC(=O)OC(C)(C)C)C(C3=CC=C(C=C3)Br)(F)F

DOS

IR

Vibrations