S-(2-Aminoethyl) Imidazol-1-Ium-4-Ylium-4-Carbothioate
Properties
Property | Value |
---|---|
Formula | C6H9N3OS |
IUPAC Name | s-(2-aminoethyl) 1h-imidazole-4-carbothioate |
Molecular Mass | 171.220 g·mol−1 |
Heat of Formation | 12.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.54 ± 1.08 D |
Volume | 197.08 Å 3 |
Surface Area | 200.18 Å 2 |
HOMO Energy | -8.85 ± 0.55 eV |
LUMO Energy | -0.77 ± eV |
Point Group Symmetry | C1 |
InChIKey | DDMHSHFYEMTOPL-UHFFFAOYSA-N |
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Elements | H C S O N |