Geometry & MOs

Info

ID:	400067
PubChem CID:	135044993
Reduced:	ClFNOSH9C13 (1)
Stoich.:	ABCDEF9G13 (1)
Weight, g/mol:	239.094629
ΔH_f, kcal/mol:	-8.55
Dipole, Da:	1.43
IP(EA), eV:	-8.82(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=N/S(=O)C2=CC=C(C=C2)Cl)F

DOS

IR

Vibrations