| Formula |
C25H37BrN4O4S |
| IUPAC Name |
5-bromo-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-6-octyl-pyrimidin-3-ium-5-id-4-one |
| Molecular Mass |
569.555 g·mol−1 |
| Heat of Formation |
-620.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.57 ± 1.08 D |
| Volume |
637.49 Å 3 |
| Surface Area |
538.19 Å 2 |
| HOMO Energy |
-8.91 ± 0.55 eV |
| LUMO Energy |
-1.33 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
RHPCTAOHQBBFKL-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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| DOI |
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| Downloads |
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|
| Elements |
C
H
O
N
S
Br
|
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