Geometry & MOs

Info

ID:

308985

PubChem CID:

126533525

Reduced:

FSO3N8H27C30 (1)

Stoich.:

ABC3D8E27F30 (1)

Weight, g/mol:

446.196743

ΔHf, kcal/mol:

21.15

Dipole, Da:

8.99

IP(EA), eV:

 -8.92(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3E)-3-(4-pyridin-4-ylpyrrolo[2,3-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(CC1=CC(=CN=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CC(=CC(=C6)CNS(=O)(=O)C)F)N=C2)C(=O)N

DOS

IR

Vibrations