(2S)-3-{4-[3-(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)Propyl]Phenyl}-2-(1H-Pyrrol-1-Yl)Propanoic Acid

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Formula C26H26N2O3
IUPAC Name (2s)-3-[4-[3-(5-methyl-2-phenyl-oxazol-4-yl)propyl]phenyl]-2-(2h-pyrrol-1-ium-2-ylium-1-yl)propanoic acid
Molecular Mass 414.496 g·mol−1
Heat of Formation -174.6 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 514.16 Å 3
Surface Area 457.2 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey QPJVYLQOALFBLJ-DEOSSOPVSA-N
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