O-[2-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)Ethyl] (4-Bromophenyl)Carbamothioate

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Formula C17H13BrN2O3S
IUPAC Name o-[2-(1,3-dioxoisoindolin-2-yl)ethyl] n-(4-bromophenyl)carbamothioate
Molecular Mass 405.266 g·mol−1
Heat of Formation -169.3 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 466.01 Å 3
Surface Area 309.15 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 1.58 ± eV
Point Group Symmetry C1
Synonyms
  • [(4-bromophenyl)amino]methanethioic acid o-[2-(1,3-diketoisoindolin-2-yl)ethyl] ester
  • [(4-bromophenyl)amino]methanethioic acid o-[2-(1,3-dioxo-2-isoindolinyl)ethyl] ester
  • carbamothioic acid, (4-bromophenyl)-, o-[2-(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)ethyl] ester
  • o-[2-(1,3-dioxoisoindolin-2-yl)ethyl] [(4-bromophenyl)amino]methanethioate
InChIKey BDVAWAILQCYMQE-UHFFFAOYSA-N
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Elements C H O N S Br