Geometry & MOs

Info

ID:

308791

PubChem CID:

126522686

Reduced:

N3C12H14 (2)

Stoich.:

A3B12C14 (2)

Weight, g/mol:

570.196171

ΔHf, kcal/mol:

125.82

Dipole, Da:

6.97

IP(EA), eV:

 -8.16(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-fluoro-5-[(2E)-2-[5-[5-(propan-2-ylamino)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[2,3-b]pyridin-4-yl]phenyl]ethanesulfonamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6CCNCC6)NN4)/C=C23

DOS

IR

Vibrations