Geometry & MOs

Info

ID:

309065

PubChem CID:

126535918

Reduced:

SO2N8H26C29 (1)

Stoich.:

AB2C8D26E29 (1)

Weight, g/mol:

464.187321

ΔHf, kcal/mol:

122.55

Dipole, Da:

12.46

IP(EA), eV:

 -8.62(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)CC(C)(C)C)NN4)/N=C23

DOS

IR

Vibrations