(1R,9S,10S,12R)-10-(Hydroxymethyl)-5-Oxo-8,11-Dioxa-2,6-Diazatricyclo[7.2.1.0~2,7~]Dodeca-3,6-Dien-12-Yl Trifluoromethanesulfonate
Properties
Property | Value |
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Formula | C10H9F3N2O7S |
IUPAC Name | [(1r,9s,10s,12r)-10-(hydroxymethyl)-5-oxo-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-12-yl] trifluoromethanesulfonate |
Molecular Mass | 358.248 g·mol−1 |
Heat of Formation | -1556.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.95 ± 1.08 D |
Volume | 332.41 Å 3 |
Surface Area | 287.33 Å 2 |
HOMO Energy | -10.01 ± 0.55 eV |
LUMO Energy | -1.85 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | JIIPELKGBDSQKK-ZAKLUEHWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |