Geometry & MOs

Info

ID:

319919

PubChem CID:

126657583

Reduced:

O2F3N5C27H30 (1)

Stoich.:

A2B3C5D27E30 (1)

Weight, g/mol:

562.226329

ΔHf, kcal/mol:

-145.71

Dipole, Da:

7.5

IP(EA), eV:

 -8.83(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(E)-2-amino-1-[(2E)-2-[5-[5-[(cyclopentylmethylamino)methyl]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]-5-ethynylimidazol-4-yl]ethenyl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CCN1CCC(CC1)COC2=C(C=C(C=C2)C3=C4C=CN(C4=NC(=N3)C#N)CC5CCOC5)C(F)(F)F

DOS

IR

Vibrations