2-({(3R)-3,9-Dimethyl-8-[1-Oxo-1-(1H-Pyrrol-2-Yl)-2-Propanyl]-1,7-Dioxaspiro[5.5]Undec-2-Yl}Methyl)-5-Hydroxy-1,3-Benzoxazole-4-Carboxylic Acid

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Formula C27H32N2O7
IUPAC Name 2-[[(2s,3r,6s,8r,9r)-3,9-dimethyl-2-[(1s)-1-methyl-2-oxo-2-pyrrol-1-ium-2-ylium-2-yl-ethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-5-hydroxy-1,3-benzoxazol-1-ium-3-ide-4-carboxylic acid
Molecular Mass 496.552 g·mol−1
Heat of Formation -1113.9 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 585.29 Å 3
Surface Area 416.63 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
InChIKey DXLFHVNETQTLLA-ONZHGXQOSA-N
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