Geometry & MOs

Info

ID:

309014

PubChem CID:

126534631

Reduced:

FSO3N6H23C28 (1)

Stoich.:

ABC3D6E23F28 (1)

Weight, g/mol:

633.2976

ΔHf, kcal/mol:

29.97

Dipole, Da:

5.11

IP(EA), eV:

 -8.62(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CC(=CC(=C6)CNS(=O)(=O)C)F)N=C2

DOS

IR

Vibrations