2-[(4Z)-2-[(1R,2R)-1-Amino-2-Hydroxy-Propyl]-4-[(3-Fluoro-4-Hydroxy-Phenyl)Methylene]-5-Oxo-Imidazol-1-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C15H16FN3O5
IUPAC Name 2-[(4z)-2-[(1r,2r)-1-amino-2-hydroxy-propyl]-4-[(3-fluoro-4-hydroxy-phenyl)methylene]-5-oxo-imidazol-1-yl]acetic acid
Molecular Mass 337.303 g·mol−1
Heat of Formation -853.5 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 383.34 Å 3
Surface Area 334.79 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 1.82 ± eV
Point Group Symmetry C1
InChIKey QLZXNQSTTQYOCH-QHUHAOFSSA-N
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