2-(3-Bromobenzyl)-6,8-Dichloro-3,4-Dihydro-2H-1,2,4-Benzothiadiazine-3-Carboxylic Acid 1,1-Dioxide

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Properties Simple | Detailed

Formula C15H11BrCl2N2O4S
IUPAC Name (3r)-2-[(3-bromophenyl)methyl]-6,8-dichloro-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-3-carboxylic acid
Molecular Mass 466.134 g·mol−1
Heat of Formation -486.8 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 420.4 Å 3
Surface Area 346.82 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
InChIKey HNXXFIJGNAGRFN-CQSZACIVSA-N
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Elements C Cl H O N S Br