N-{3-Chloro-4-[(1R,2S,6R,7S)-3,5-Dioxo-4-Azatricyclo[5.2.1.0~2,6~]Dec-8-En-4-Yl]Phenyl}-2-Pyridinecarboxamide

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Properties Simple | Detailed

Formula C21H16ClN3O3
IUPAC Name n-{3-chloro-4-[(1r,2s,6r,7s)-3,5-dioxo-4-azatricyclo[5.2.1.0 2,6 ]dec-8-en-4-yl]phenyl}-2-pyridinecarboxamide
Molecular Mass 393.823 g·mol−1
Heat of Formation -139.1 ± 16.7 kJ·mol−1
Dipole Moment 1.74 ± 1.08 D
Volume 427.23 Å 3
Surface Area 369.35 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
InChIKey LJUABYFUJVRUSJ-FRVJLOGJSA-N
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Elements H C N O Cl