5-{[Allyl(2-{[(1S)-1-(4-Methoxyphenyl)Butyl]Carbamoyl}Benzyl)Amino]Methyl}-1,3-Benzodioxole-4-Carboxylic Acid

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Formula C31H34N2O6
IUPAC Name 5-[[allyl-[[2-[[(1s)-1-(4-methoxyphenyl)butyl]carbamoyl]phenyl]methyl]amino]methyl]-1,3-benzodioxole-4-carboxylic acid
Molecular Mass 530.611 g·mol−1
Heat of Formation -706.2 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 641.61 Å 3
Surface Area 453.42 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
InChIKey BMRIMVDVHSTXPF-SANMLTNESA-N
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