Geometry & MOs

Info

ID:

436516

PubChem CID:

135204794

Reduced:

S2F3O3N7C20H20 (1)

Stoich.:

A2B3C3D7E20F20 (1)

Weight, g/mol:

560.265965

ΔHf, kcal/mol:

-127.91

Dipole, Da:

5.3

IP(EA), eV:

 -9.44(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-tert-butyl-N-[[4-[3-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(C2=NN=C(S2)C(F)F)N3C4=C(C=CC(=C4)S(=O)(=O)NC5(CC5)CF)NC3=O)C

DOS

IR

Vibrations