3-Bromo-4-Cyanobenzyl (3S,5'R)-2-Oxo-1,2-Dihydrospiro[Indole-3,3'-Pyrrolidine]-5'-Carboxylate

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Formula C20H16BrN3O3
IUPAC Name (3-bromo-4-cyano-phenyl)methyl (2'r,3s)-2-oxospiro[indoline-3,4'-pyrrolidine]-2'-carboxylate
Molecular Mass 426.263 g·mol−1
Heat of Formation -131.4 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 438.01 Å 3
Surface Area 381.31 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
InChIKey DJYALAFSFGHFLN-YLJYHZDGSA-N
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Elements H C Br O N