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 |
QR Code |
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Elements |
H
C
Br
O
N
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