8-[(2,5-Dichlorophenyl)Methylsulfanyl]-4-Ethyl-1,7-Diazonia-5,9-Diazanidabicyclo[4.3.0]Nona-1,3,6,7-Tetraen-2-Ol
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
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Elements | C Cl H O N S |