Geometry & MOs

Info

ID:

434578

PubChem CID:

135175253

Reduced:

SF2N2O4C38H40 (1)

Stoich.:

AB2C2D4E38F40 (1)

Weight, g/mol:

633.11085

ΔHf, kcal/mol:

-196.21

Dipole, Da:

9.98

IP(EA), eV:

 -9.14(-1.06)

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-cyclopropyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@H](C(=O)C4C5CCC4CC(C5)N)C(C6=CC=CC(=C6)C7=CC=CC=C7)(F)F

DOS

IR

Vibrations