(12S,13R)-6-Fluoro-13-Hydroxy-12-Methyl-11-Oxo-Blahe-9-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H21FNO4+
IUPAC Name (12s,13r)-6-fluoro-13-hydroxy-12-methyl-11-oxo-blahe-9-carboxylic acid
Molecular Mass 286.319 g·mol−1
Heat of Formation -767.1 ± 16.7 kJ·mol−1
Dipole Moment 8.50 ± 1.08 D
Volume 297.44 Å 3
Surface Area 263.73 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.95 ± eV
Point Group Symmetry C1
InChIKey OTLOQSUKCSHLIT-PSZYAMRESA-O
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