Geometry & MOs

Info

ID:

434604

PubChem CID:

135175306

Reduced:

SO2N4F5H13C20 (1)

Stoich.:

AB2C4D5E13F20 (1)

Weight, g/mol:

641.273499

ΔHf, kcal/mol:

-198.46

Dipole, Da:

5.64

IP(EA), eV:

 -9.92(-2.14)

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=CC(=C1)C2=CC(=CC(=C2)F)F)N3C=C4C(=N3)C=C(C=N4)C(F)(F)F

DOS

IR

Vibrations