N-{[(4S,5S)-5-(Aminomethyl)-2,2-Dimethyl-1,3-Dioxolan-4-Yl]Methyl}-N'-(4-Chloro-3-Fluorophenyl)Ethanediamide

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Formula C15H19ClFN3O4
IUPAC Name n-[[(4s,5s)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-n'-(4-chloro-3-fluoro-phenyl)oxamide
Molecular Mass 359.780 g·mol−1
Heat of Formation -880.3 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 398.45 Å 3
Surface Area 364.17 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
InChIKey KUDYRECLZBUMDK-RYUDHWBXSA-N
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Elements C F H Cl O N