Geometry & MOs

Info

ID:

309733

PubChem CID:

126556610

Reduced:

SF3N3O5C27H32 (1)

Stoich.:

AB3C3D5E27F32 (1)

Weight, g/mol:

476.187321

ΔHf, kcal/mol:

-334.77

Dipole, Da:

4.04

IP(EA), eV:

 -9.45(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-but-1-en-2-yl-5-[(3Z)-3-[7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)N[C@@H](CO)C3=CC=C(C=C3)S(=O)(=O)CC)N=C1C[C@H]4CC[C@@H](OC4)C(F)(F)F

DOS

IR

Vibrations