Geometry & MOs

Info

ID:

434930

PubChem CID:

135176026

Reduced:

ClSF2N3O4C35H40 (1)

Stoich.:

ABC2D3E4F35G40 (1)

Weight, g/mol:

689.17345

ΔHf, kcal/mol:

-221.92

Dipole, Da:

5.22

IP(EA), eV:

 -9.26(-0.66)

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-cyclopentyloxy-N-ethylnaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)N[C@@H](C(=O)N3CC4CCC(C3)C4N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F

DOS

IR

Vibrations