(1S,6R)-5-Methylsulfonyl-4-Azabicyclo[4.4.1]Undeca-2,4,7,9-Tetraene

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Properties Simple | Detailed

Formula C11H13NO2S
IUPAC Name (1r,6s)-2-methylsulfonyl-3-azabicyclo[4.4.1]undeca-2,4,7,9-tetraene
Molecular Mass 223.291 g·mol−1
Heat of Formation -74.6 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 251.48 Å 3
Surface Area 227.99 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey LYDSTRJQVMZLGR-UWVGGRQHSA-N
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