Geometry & MOs

Info

ID:

447935

PubChem CID:

135286950

Reduced:

FSO3N9H24C28 (1)

Stoich.:

ABC3D9E24F28 (1)

Weight, g/mol:

591.250649

ΔHf, kcal/mol:

40.32

Dipole, Da:

10.79

IP(EA), eV:

 -8.88(-2.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=NC=C(C5=N4)C6=CC(=CC(=C6)CNS(=O)(=O)C)F

DOS

IR

Vibrations