3-(4-Fluorophenyl)-6,7-Dimethoxy-3A,4-Dihydroindeno[1,2-C]Pyrazole-2(3H)-Carbothioamide

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Formula C19H18FN3O2S
IUPAC Name (3s,3as)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3h-indeno[1,2-c]pyrazole-2-carbothioamide
Molecular Mass 371.429 g·mol−1
Heat of Formation -57.3 ± 16.7 kJ·mol−1
Dipole Moment 7.92 ± 1.08 D
Volume 415.87 Å 3
Surface Area 358.11 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
InChIKey QPOVAXRQPIMWFQ-RDTXWAMCSA-N
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