6-Bromo-3,4-Dihydro-2H-Thiochromen-4-Yl (3S,5'R)-2-Oxo-1,2-Dihydrospiro[Indole-3,3'-Pyrrolidine]-5'-Carboxylate

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Formula C21H19BrN2O3S
IUPAC Name [(4s)-6-bromothiochroman-4-yl] (2'r,3s)-2-oxospiro[indoline-3,4'-pyrrolidine]-2'-carboxylate
Molecular Mass 459.356 g·mol−1
Heat of Formation -277.4 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 468.52 Å 3
Surface Area 398.29 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
InChIKey OPUJSFZMYKHRTH-LLGFUMIMSA-N
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Elements C H O N S Br