Geometry & MOs

Info

ID:

443879

PubChem CID:

135260266

Reduced:

FSO3N8H27C30 (1)

Stoich.:

ABC3D8E27F30 (1)

Weight, g/mol:

486.228043

ΔHf, kcal/mol:

29.86

Dipole, Da:

4.78

IP(EA), eV:

 -8.81(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)CNS(=O)(=O)C)F

DOS

IR

Vibrations