(3S,7As)-N-Methyl-3-(5-Methylimidazol-1-Ium-5-Ylium-4-Yl)-1,3,7,7A-Tetrahydrothiazolo[3,4-C]Thiazol-5-Imine
Properties
Property | Value |
---|---|
Formula | C10H14N4S2 |
IUPAC Name | (z,3s,7as)-n-methyl-3-(5-methyl-1h-imidazol-4-yl)-1,3,7,7a-tetrahydrothiazolo[3,4-c]thiazol-5-imine |
Molecular Mass | 254.375 g·mol−1 |
Heat of Formation | 216.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.14 ± 1.08 D |
Volume | 285.47 Å 3 |
Surface Area | 261.54 Å 2 |
HOMO Energy | -8.39 ± 0.55 eV |
LUMO Energy | 2.50 ± eV |
Point Group Symmetry | C1 |
InChIKey | GUUKIVJYDRFZPN-YJIWFGBKSA-N |
QR Code | Generate QR Code |
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Elements | H C S N |