Geometry & MOs

Info

ID:

448224

PubChem CID:

135289419

Reduced:

FN10H23C25 (1)

Stoich.:

AB10C23D25 (1)

Weight, g/mol:

585.170685

ΔHf, kcal/mol:

193.99

Dipole, Da:

12.39

IP(EA), eV:

 -8.24(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CNN=C6)NN4)/N=C23)F

DOS

IR

Vibrations