Geometry & MOs

Info

ID:

308981

PubChem CID:

126533441

Reduced:

FN6H15C24 (1)

Stoich.:

AB6C15D24 (1)

Weight, g/mol:

610.227472

ΔHf, kcal/mol:

165.33

Dipole, Da:

3.57

IP(EA), eV:

 -8.81(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CC(=CC=C6)F)N=C2

DOS

IR

Vibrations