(3S)-3-[2-(1,3-Benzodioxol-5-Yl)-2-Oxoethyl]-4-Bromo-3-Hydroxy-5-Methyl-1,3-Dihydro-2H-Indol-2-One
Properties
Property | Value |
---|---|
Formula | C18H14BrNO5 |
IUPAC Name | (3s)-3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-4-bromo-3-hydroxy-5-methyl-indolin-2-one |
Molecular Mass | 404.211 g·mol−1 |
Heat of Formation | -562.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.29 ± 1.08 D |
Volume | 387.95 Å 3 |
Surface Area | 336.74 Å 2 |
HOMO Energy | -9.05 ± 0.55 eV |
LUMO Energy | 2.23 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | SJXSNMXBXJIRLV-SFHVURJKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C Br O N |