(5Z)-5-(Carbamoylimino)-3-[(5R)-6,7,8,9-Tetrahydro-5H-Benzo[7]Annulen-5-Ylsulfanyl]-2,5-Dihydro-1,2-Thiazole-4-Carboxamide

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Formula C16H18N4O2S2
IUPAC Name (5z)-5-carbamoylimino-3-[[(5r)-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-yl]sulfanyl]-2h-isothiazole-4-carboxamide
Molecular Mass 362.470 g·mol−1
Heat of Formation -187.9 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 393.27 Å 3
Surface Area 330.34 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
InChIKey BLCWVDAFBKECPI-PFMFLNCGSA-N
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