Geometry & MOs

Info

ID:

308983

PubChem CID:

126533479

Reduced:

SN7H17C22 (1)

Stoich.:

AB7C17D22 (1)

Weight, g/mol:

514.133571

ΔHf, kcal/mol:

208.09

Dipole, Da:

7.99

IP(EA), eV:

 -8.75(-2.12)

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-b]pyridin-3-ylidene)pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CC=CS6)N=C2

DOS

IR

Vibrations