Geometry & MOs

Info

ID:

309021

PubChem CID:

126534769

Reduced:

OSF3N6C24H29 (1)

Stoich.:

ABC3D6E24F29 (1)

Weight, g/mol:

593.266299

ΔHf, kcal/mol:

-106.62

Dipole, Da:

7.84

IP(EA), eV:

 -8.56(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=C(OC=N1)C2=NN=C(N2C)SCCCN3C[C@@H]4CCCN([C@@H]4C3)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations