Geometry & MOs

Info

ID:

308735

PubChem CID:

126522431

Reduced:

ON7H23C25 (1)

Stoich.:

AB7C23D25 (1)

Weight, g/mol:

514.133571

ΔHf, kcal/mol:

131.51

Dipole, Da:

8.99

IP(EA), eV:

 -8.71(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-fluoro-5-[(2E)-2-(5-pyrimidin-5-yl-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene)pyrrolo[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C=CC=NC6=N5)/NN4

DOS

IR

Vibrations