Geometry & MOs

Info

ID:	158479
PubChem CID:	56463796
Reduced:	BrNSO5C15H22 (1)
Stoich.:	ABCD5E15F22 (1)
Weight, g/mol:	430.119858
ΔH_f, kcal/mol:	-193.01
Dipole, Da:	6.74
IP(EA), eV:	-9.44(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethylsulfonylethyl)-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Br)C(=O)NCCS(=O)(=O)CC)OC

DOS

IR

Vibrations