Geometry & MOs

Info

ID:

309069

PubChem CID:

126535964

Reduced:

FSO3N9H28C30 (1)

Stoich.:

ABC3D9E28F30 (1)

Weight, g/mol:

522.158643

ΔHf, kcal/mol:

37.72

Dipole, Da:

6.55

IP(EA), eV:

 -8.76(-2.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-(5-acetylthiophen-2-yl)imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C(=CC=NC5=N4)C6=CC(=CC(=C6)CNS(=O)(=O)C)F

DOS

IR

Vibrations