Geometry & MOs

Info

ID:	437722
PubChem CID:	135226887
Reduced:	FS2N3O4H22C23 (1)
Stoich.:	AB2C3D4E22F23 (1)
Weight, g/mol:	441.098097
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	8.47
IP(EA), eV:	-8.6(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=N)(=O)C1=CC(=C(C=C1)F)C2=CN(C(=O)C3=C2C=CN3S(=O)(=O)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations