Geometry & MOs

Info

ID:	437813
PubChem CID:	135227099
Reduced:	SF2O3N4H20C24 (1)
Stoich.:	AB2C3D4E20F24 (1)
Weight, g/mol:	463.192963
ΔH_f, kcal/mol:	-70.99
Dipole, Da:	2.06
IP(EA), eV:	-8.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C#N)S(=N)(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations