Geometry & MOs

Info

ID:

323342

PubChem CID:

126674403

Reduced:

SF4N6H22C24 (1)

Stoich.:

AB4C6D22E24 (1)

Weight, g/mol:

534.162507

ΔHf, kcal/mol:

-75.65

Dipole, Da:

4.95

IP(EA), eV:

 -8.59(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NSC(=C1)N2CC3CCC(C2)C3NC4=NN5C=CC=C(C5=N4)C6=C(C=C(C=C6)C(F)(F)F)F

DOS

IR

Vibrations