O-[(1R,8S)-Tricyclo[6.2.1.0~2,7~]Undeca-2,4,6-Trien-4-Yl] Methyl(3-Methylphenyl)Carbamothioate

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Formula C20H21NOS
IUPAC Name o-[(1r,8s)-tricyclo[6.2.1.0 2,7 ]undeca-2,4,6-trien-4-yl] methyl(3-methylphenyl)carbamothioate
Molecular Mass 323.452 g·mol−1
Heat of Formation 115.7 ± 16.7 kJ·mol−1
Dipole Moment 7.58 ± 1.08 D
Volume 397.04 Å 3
Surface Area 311.5 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey CANCCLAKQQHLNK-LSDHHAIUSA-N
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