2-[2-[(1R,2S)-1-Amino-2-Hydroxy-Propyl]-4-[(4-Fluoroindol-1-Ium-7A-Ylium-3-Yl)Methyl]-5-Hydroxy-Imidazol-1-Ium-3-Id-1-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C17H19FN4O4
IUPAC Name 2-[2-[(1r,2s)-1-amino-2-hydroxy-propyl]-4-[(4-fluoroindol-1-ium-7a-ylium-3-yl)methyl]-5-hydroxy-imidazol-1-ium-3-id-1-yl]acetic acid
Molecular Mass 362.356 g·mol−1
Heat of Formation -668.8 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 412.57 Å 3
Surface Area 348.9 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
InChIKey AYMRQIHECFEMIQ-AYVTZFPOSA-N
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