Geometry & MOs

Info

ID:

434605

PubChem CID:

135175336

Reduced:

SF2N3O5C34H41 (1)

Stoich.:

AB2C3D5E34F41 (1)

Weight, g/mol:

641.273499

ΔHf, kcal/mol:

-264.57

Dipole, Da:

7.7

IP(EA), eV:

 -8.95(-0.92)

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(C(C(=O)N2C3CCC2CC(C3)N)N(C)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6)(F)F

DOS

IR

Vibrations