Geometry & MOs

Info

ID:	437858
PubChem CID:	135227197
Reduced:	SF2O2N4C24H26 (1)
Stoich.:	AB2C2D4E24F26 (1)
Weight, g/mol:	459.081969
ΔH_f, kcal/mol:	-88.17
Dipole, Da:	3.44
IP(EA), eV:	-8.44(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-chloro-2-fluorophenoxy)-5-(ethylsulfonimidoyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC(C)(C#N)S(=N)C1=CC(=C(C=C1)OC2CCC(CC2)(F)F)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations