5-Hydroxy-2-({(2R,3R,8S,9R,11R)-3,9,11-Trimethyl-8-[(2S)-1-Oxo-1-(1H-Pyrrol-2-Yl)-2-Propanyl]-1,7-Dioxaspiro[5.5]Undec-2-Yl}Methyl)-1,3-Benzoxazole-4-Carboxylic Acid

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Formula C28H34N2O7
IUPAC Name methylidyne-[(4e)-2-methyl-4-[(9z)-9-methyl-8-oxo-5-[2-(2,7,10-trioxo-3-oxa-5-azoniabicyclo[4.4.0]deca-4,5,8-trien-4-yl)ethynyl]-3-oxabicyclo[8.1.0]undec-9-en-6-yn-2-ylidene]-5-oxo-cyclopenten-1-yl]ammonium
Molecular Mass 510.579 g·mol−1
Heat of Formation 2544.4 ± 16.7 kJ·mol−1
Dipole Moment 18.51 ± 1.08 D
Volume 519.89 Å 3
Surface Area 449.18 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -3.95 ± eV
Point Group Symmetry C1
InChIKey WULUUVLPLGXOFP-FYZGQDOGSA-N
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