5-[(2S)-2-{[(4-Aminobenzoyl)Amino]Methyl}-4-Methylpentyl]-1,3-Benzodioxole-4-Carboxylic Acid

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Formula C22H26N2O5
IUPAC Name 5-[(2s)-2-[[(4-aminobenzoyl)amino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid
Molecular Mass 398.452 g·mol−1
Heat of Formation -758.8 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 484.0 Å 3
Surface Area 395.32 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey RIYOWUZQAXSMBW-AWEZNQCLSA-N
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