6-(Phenylsulfinyl)Tetrazolo[1,5-B]Pyridazine

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Formula C10H7N5OS
IUPAC Name 3-[(s)-phenylsulfinyl]-2,7,8-triaza-1-azonia-9-azanidabicyclo[4.3.0]nona-1(6),2,4,7-tetraene
Molecular Mass 245.260 g·mol−1
Heat of Formation 572.8 ± 16.7 kJ·mol−1
Dipole Moment 7.82 ± 1.08 D
Volume 260.72 Å 3
Surface Area 243.81 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -1.74 ± eV
Point Group Symmetry C1
InChIKey JFSXSNSCPNFCDM-KRWDZBQOSA-N
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