N-[[4-(5-Bromopyrimidine-1,3-Diium-5-Id-2-Yl)Sulfanylphenyl]Carbamoyl]-2-Nitro-Benzamide
Properties
| Property | Value |
|---|---|
| Formula | C18H12BrN5O4S |
| IUPAC Name | n-[[4-(5-bromopyrimidine-1,3-diium-5-id-2-yl)sulfanylphenyl]carbamoyl]-2-nitro-benzamide |
| Molecular Mass | 474.288 g·mol−1 |
| Heat of Formation | 78.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.72 ± 1.08 D |
| Volume | 457.65 Å 3 |
| Surface Area | 413.19 Å 2 |
| HOMO Energy | -8.64 ± 0.55 eV |
| LUMO Energy | 1.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ALBUSRBMOPEVJS-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N S Br |