Geometry & MOs

Info

ID:

444267

PubChem CID:

135261923

Reduced:

SN3O8C34H39 (1)

Stoich.:

AB3C8D34E39 (1)

Weight, g/mol:

507.218287

ΔHf, kcal/mol:

-226.82

Dipole, Da:

4.84

IP(EA), eV:

 -8.71(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOC2=NC=C(C=C2)C3=CC4=C(C=C3)C5=C(N4C)C=CN=C5

DOS

IR

Vibrations