Geometry & MOs

Info

ID:	132543
PubChem CID:	51376759
Reduced:	NS2O4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	581.68328
ΔH_f, kcal/mol:	-13.43
Dipole, Da:	6.66
IP(EA), eV:	-8.44(-3.71)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)benzoate

Drug info:

PubChemData

Smile

CCC/C(=C\1/[C@@H](CC(=C2C=CC(=NS(=O)(=O)C)C=C2)C=C1[O-])C3=CC=CS3)/[O-]

DOS

IR

Vibrations