Geometry & MOs

Info

ID:

427052

PubChem CID:

135155253

Reduced:

SN3F5O6C37H38 (1)

Stoich.:

AB3C5D6E37F38 (1)

Weight, g/mol:

633.247284

ΔHf, kcal/mol:

-427.39

Dipole, Da:

7.15

IP(EA), eV:

 -8.93(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-(4-phenylphenyl)propan-2-yl]-6-propan-2-yloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)NC(C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)C6=CC=CC=C6)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations