Geometry & MOs

Info

ID:

434680

PubChem CID:

135175474

Reduced:

SF2N4O6C38H48 (1)

Stoich.:

AB2C4D6E38F48 (1)

Weight, g/mol:

647.203227

ΔHf, kcal/mol:

-298.33

Dipole, Da:

6.3

IP(EA), eV:

 -8.84(-0.62)

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-chloro-3-methoxyphenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CN(C(C(=O)N1C2CCC1CC(C2)N)C(C3=CC=C(C=C3)OCCN4CCOCC4)(F)F)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)OC7CCCC7

DOS

IR

Vibrations