Ethyl 4-Amino-2-(2,4-Dinitrophenyl)Sulfanyl-Pyrimidine-1,3-Diium-5-Ide-5-Carboxylate

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Properties Simple | Detailed

Formula C13H12N5O6S
IUPAC Name ethyl 4-amino-2-(2,4-dinitrophenyl)sulfanyl-pyrimidine-1,3-diium-5-ide-5-carboxylate
Molecular Mass 366.329 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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