4-[[[6-(Benzylamino)-5-Nitro-Pyrimidine-1,3-Diium-5-Id-4-Yl]Amino]Methyl]Benzenesulfonamide
Properties
| Property | Value |
|---|---|
| Formula | C18H18N6O4S |
| IUPAC Name | 4-[[[6-(benzylamino)-5-nitro-pyrimidine-1,3-diium-5-id-4-yl]amino]methyl]benzenesulfonamide |
| Molecular Mass | 414.438 g·mol−1 |
| Heat of Formation | 14.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.49 ± 1.08 D |
| Volume | 457.14 Å 3 |
| Surface Area | 417.96 Å 2 |
| HOMO Energy | -9.59 ± 0.55 eV |
| LUMO Energy | -0.97 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XKLSXGBZSPMBIZ-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
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| Elements | H C S O N |