Geometry & MOs

Info

ID:	446913
PubChem CID:	135278753
Reduced:	SF2N3O4H17C24 (1)
Stoich.:	AB2C3D4E17F24 (1)
Weight, g/mol:	519.02637
ΔH_f, kcal/mol:	-52.29
Dipole, Da:	6.31
IP(EA), eV:	-8.48(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-bromo-2-fluorophenoxy)-3-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CN=C2N1O)C3=C(C=CC(=C3)S(=O)(=O)C4(CC4)C#N)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations