Geometry & MOs

Info

ID:

308982

PubChem CID:

126533455

Reduced:

FSO2N8H31C32 (1)

Stoich.:

ABC2D8E31F32 (1)

Weight, g/mol:

411.126615

ΔHf, kcal/mol:

65.1

Dipole, Da:

10.02

IP(EA), eV:

 -8.85(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC(=CN=C2)C3=CC\4=C(NN/C4=C/5\C=C6C(=CN=CC6=N5)C7=CC(=CC(=C7)CCS(=O)(=O)N)F)N=C3

DOS

IR

Vibrations