Geometry & MOs

Info

ID:	437721
PubChem CID:	135226886
Reduced:	SF2N3O3H23C25 (1)
Stoich.:	AB2C3D3E23F25 (1)
Weight, g/mol:	487.103577
ΔH_f, kcal/mol:	-104.15
Dipole, Da:	2.02
IP(EA), eV:	-8.36(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(ethylsulfonimidoyl)-2-fluorophenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)S(=N)(=O)C4CCCC4)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations