Geometry & MOs

Info

ID:	437772
PubChem CID:	135227001
Reduced:	SF2N3O3H21C27 (1)
Stoich.:	AB2C3D3E21F27 (1)
Weight, g/mol:	501.119227
ΔH_f, kcal/mol:	-73.13
Dipole, Da:	6.06
IP(EA), eV:	-8.33(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-fluoro-5-(propan-2-ylsulfonimidoyl)phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=N)(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)F)F)C4=CN(C(=O)C5=C4C=CN5)C

DOS

IR

Vibrations