Geometry & MOs

Info

ID:

434933

PubChem CID:

135176030

Reduced:

ClSF2N3O4C32H36 (1)

Stoich.:

ABC2D3E4F32G36 (1)

Weight, g/mol:

631.208312

ΔHf, kcal/mol:

-224.28

Dipole, Da:

8.8

IP(EA), eV:

 -8.81(-0.74)

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

Drug info:

PubChemData

Smile

CN([C@@H](C(=O)N1C2CCC1CC(C2)N)C(C3=CC=C(C=C3)Cl)(F)F)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6

DOS

IR

Vibrations