4-(2,4-Dimethylthiazol-3-Ium-5-Id-5-Yl)-N-(3-Nitrophenyl)-5H-Pyrimidine-1,3-Diium-5-Id-2-Amine
Properties
Property | Value |
---|---|
Formula | C15H13N5O2S |
IUPAC Name | 4-(2,4-dimethylthiazol-3-ium-5-id-5-yl)-n-(3-nitrophenyl)-5h-pyrimidine-1,3-diium-5-id-2-amine |
Molecular Mass | 327.361 g·mol−1 |
Heat of Formation | 337.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.28 ± 1.08 D |
Volume | 359.47 Å 3 |
Surface Area | 333.04 Å 2 |
HOMO Energy | -9.09 ± 0.55 eV |
LUMO Energy | 1.60 ± eV |
Point Group Symmetry | C1 |
InChIKey | PBEBICDNDMORRQ-UHFFFAOYSA-N |
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Elements | H S C O N |