4-Methyl-5-[2-(3-Nitroanilino)-5H-Pyrimidine-1,3-Diium-5-Id-4-Yl]Thiazol-3-Ium-5-Id-2-Amine
Properties
Property | Value |
---|---|
Formula | C14H12N6O2S |
IUPAC Name | 4-methyl-5-[2-(3-nitroanilino)-5h-pyrimidine-1,3-diium-5-id-4-yl]thiazol-3-ium-5-id-2-amine |
Molecular Mass | 328.349 g·mol−1 |
Heat of Formation | 366.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.42 ± 1.08 D |
Volume | 354.26 Å 3 |
Surface Area | 327.35 Å 2 |
HOMO Energy | -8.82 ± 0.55 eV |
LUMO Energy | 1.82 ± eV |
Point Group Symmetry | C1 |
InChIKey | VWZFUXZHEMZZAA-UHFFFAOYSA-N |
QR Code | Generate QR Code |
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Elements | H C S O N |