8-[(2,5-Dichlorophenyl)Methylsulfanyl]-4-Ethyl-1,7-Diazonia-5,9-Diazanidabicyclo[4.3.0]Nona-1,3,6,7-Tetraen-2-Ol

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Properties Simple | Detailed

Formula C14H14Cl2N4OS+
IUPAC Name 8-[(2,5-dichlorophenyl)methylsulfanyl]-4-ethyl-1,7-diazonia-5,9-diazanidabicyclo[4.3.0]nona-1,3,6,7-tetraen-2-ol
Molecular Mass 357.258 g·mol−1
Heat of Formation 185.2 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 372.46 Å 3
Surface Area 343.3 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
InChIKey AISLERXSGNAXSC-UHFFFAOYSA-O
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