Ethyl 4-Amino-2-(2,4-Dinitrophenyl)Sulfanyl-Pyrimidine-1,3-Diium-5-Ide-5-Carboxylate
Properties
Property | Value |
---|---|
Formula | C13H11N5O6S |
IUPAC Name | ethyl 4-amino-2-(2,4-dinitrophenyl)sulfanyl-pyrimidine-1,3-diium-5-ide-5-carboxylate |
Molecular Mass | 365.321 g·mol−1 |
Heat of Formation | -144.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.67 ± 1.08 D |
Volume | 378.84 Å 3 |
Surface Area | 341.94 Å 2 |
HOMO Energy | -9.58 ± 0.55 eV |
LUMO Energy | -2.16 ± eV |
Point Group Symmetry | C1 |
InChIKey | RMVKZIMWAQPUIL-UHFFFAOYSA-N |
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Elements | H S C O N |