(1S,2S,5S,6R,7S,9R,11S,13S)-6-(3-Amino-3-Methyl-Azetidin-1-Yl)-7-Fluoro-2-Methyl-10-Oxo-4-Oxa-1-Azoniatricyclo[7.3.1.05,13]Tridecane-11-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C17H27FN3O4+ |
| IUPAC Name | (1s,2s,5s,6r,7s,9r,11s,13s)-6-(3-amino-3-methyl-azetidin-1-yl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azoniatricyclo[7.3.1.05,13]tridecane-11-carboxylic acid |
| Molecular Mass | 356.412 g·mol−1 |
| Heat of Formation | -632.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.00 ± 1.08 D |
| Volume | 381.93 Å 3 |
| Surface Area | 332.3 Å 2 |
| HOMO Energy | -8.62 ± 0.55 eV |
| LUMO Energy | 2.15 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GWRKYMDPUKTJRN-LXFUSKFDSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |