Geometry & MOs

Info

ID:

308738

PubChem CID:

126522434

Reduced:

FS3O4N7H16C22 (1)

Stoich.:

AB3C4D7E16F22 (1)

Weight, g/mol:

488.207307

ΔHf, kcal/mol:

15.16

Dipole, Da:

9.36

IP(EA), eV:

 -8.83(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-5-(5-piperidin-4-yloxypyridin-3-yl)-3-(4-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC=C(N1S(=O)(=O)C)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC=C(S6)F)/NN3

DOS

IR

Vibrations