Geometry & MOs

Info

ID:

432881

PubChem CID:

135173018

Reduced:

O2H27C35 (2)

Stoich.:

A2B27C35 (2)

Weight, g/mol:

518.144885

ΔHf, kcal/mol:

101.03

Dipole, Da:

2.45

IP(EA), eV:

 -8.42(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-4-fluoro-3-[7-(5-fluorothiophen-2-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=C(C=C2C3=CC=CC=C3)C4=CC=C(C=C4)C5=C(C(=C(C(=C5)C6=CC=CC=C6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=C(C=C1)OC

DOS

IR

Vibrations