Geometry & MOs

Info

ID:	158604
PubChem CID:	56464297
Reduced:	BrNS2O3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	400.109293
ΔH_f, kcal/mol:	-70.92
Dipole, Da:	4.26
IP(EA), eV:	-9.18(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethylsulfonylethyl)benzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)/C=C/C1=CC=C(S1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations