Geometry & MOs

Info

ID:

448233

PubChem CID:

135289484

Reduced:

FSO3N9H26C29 (1)

Stoich.:

ABC3D9E26F29 (1)

Weight, g/mol:

496.176007

ΔHf, kcal/mol:

38.59

Dipole, Da:

7.06

IP(EA), eV:

 -8.64(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[5-(5-phenylmethoxypyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]-7-pyridin-4-ylimidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C(=CC=NC5=N4)C6=CC(=CC(=C6)CNS(=O)(=O)C)F

DOS

IR

Vibrations