N4-[4-(2,4-Dimethylthiazol-3-Ium-5-Id-5-Yl)-5H-Pyrimidine-1,3-Diium-5-Id-2-Yl]-N1,N1-Dimethyl-2-Nitro-Benzene-1,4-Diamine
Properties
Property | Value |
---|---|
Formula | C17H18N6O2S |
IUPAC Name | n4-[4-(2,4-dimethylthiazol-3-ium-5-id-5-yl)-5h-pyrimidine-1,3-diium-5-id-2-yl]-n1,n1-dimethyl-2-nitro-benzene-1,4-diamine |
Molecular Mass | 370.429 g·mol−1 |
Heat of Formation | 354.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.07 ± 1.08 D |
Volume | 420.25 Å 3 |
Surface Area | 379.14 Å 2 |
HOMO Energy | -8.72 ± 0.55 eV |
LUMO Energy | 1.71 ± eV |
Point Group Symmetry | C1 |
InChIKey | QWFWVJMQSBWNAB-UHFFFAOYSA-N |
QR Code | Generate QR Code |
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Elements | H S C O N |