Geometry & MOs

Info

ID:	225441
PubChem CID:	85786888
Reduced:	ClPO4C7H14 (1)
Stoich.:	ABC4D7E14 (1)
Weight, g/mol:	284.061949
ΔH_f, kcal/mol:	-236.1
Dipole, Da:	6.08
IP(EA), eV:	-9.78(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylsulfanylpyridin-2-yl)methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CP(CCC(=O)O)CCC(=O)O.Cl

DOS

IR

Vibrations