2-(4-Chlorophenyl)-5,6-Dihydro[1]Benzothiepino[5,4-C]Pyridazin-3(2H)-One 7-Oxide

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Formula C18H13ClN2O2S+
IUPAC Name (7s)-2-(4-chlorophenyl)-7-oxo-5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-one
Molecular Mass 356.826 g·mol−1
Heat of Formation 90.0 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 380.91 Å 3
Surface Area 333.37 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
InChIKey WHMCSFWQVGJBGM-DEOSSOPVSA-N
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Elements C Cl H O N S