(3R,5R)-7-[2-(4-Fluorophenyl)-4-{[(1S)-2-Hydroxy-1-Phenylethyl]Carbamoyl}-5-Isopropyl-1H-Imidazol-1-Yl]-3,5-Dihydroxyheptanoic Acid

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Properties Simple | Detailed

Formula C28H34FN3O6
IUPAC Name (3r,5r)-7-[2-(4-fluorophenyl)-4-[[(1s)-2-hydroxy-1-phenyl-ethyl]carbamoyl]-5-isopropyl-imidazol-1-ium-2-ylium-1-yl]-3,5-dihydroxy-heptanoic acid
Molecular Mass 527.584 g·mol−1
Heat of Formation -1173.7 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 630.05 Å 3
Surface Area 532.83 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
InChIKey YBLASZBVZVCRFU-DNVJHFABSA-N
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