5-{[{[(1S)-2-(Benzylamino)-2-Oxo-1-Phenylethyl]Carbamoyl}(Methyl)Amino]Methyl}-1,3-Benzodioxole-4-Carboxylic Acid

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Formula C26H25N3O6
IUPAC Name 5-[[[(1s)-2-(benzylamino)-2-oxo-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
Molecular Mass 475.493 g·mol−1
Heat of Formation -700.8 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 555.05 Å 3
Surface Area 445.36 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
InChIKey HIXYFFRMRKDFAZ-QFIPXVFZSA-N
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