(2S)-6-({[2-(Benzylcarbamoyl)Benzyl](Methyl)Amino}Methyl)-2-(2-Carboxyethyl)-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C29H30N2O7
IUPAC Name (2s)-6-[[[2-(benzylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Molecular Mass 518.558 g·mol−1
Heat of Formation -992.3 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 612.65 Å 3
Surface Area 495.81 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey RDFKANMJCXGBBA-QFIPXVFZSA-N
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