Geometry & MOs

Info

ID:

308964

PubChem CID:

126532969

Reduced:

FSO3N8H25C29 (1)

Stoich.:

ABC3D8E25F29 (1)

Weight, g/mol:

519.218287

ΔHf, kcal/mol:

24.77

Dipole, Da:

4.83

IP(EA), eV:

 -8.64(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(2-fluorophenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=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

DOS

IR

Vibrations