| Formula |
C21H27FN7O5S+ |
| IUPAC Name |
n-(2-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1-oxa-4-azonia-2-azanidacyclopenta-3,4-dien-5-yl)-1-piperidyl]-5-nitro-pyrimidine-5,6-diid-4-amine |
| Molecular Mass |
508.546 g·mol−1 |
| Heat of Formation |
-276.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.44 ± 1.08 D |
| Volume |
545.07 Å 3 |
| Surface Area |
474.97 Å 2 |
| HOMO Energy |
-9.57 ± 0.55 eV |
| LUMO Energy |
-1.70 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
DTZWJQVOBIZPCS-UHFFFAOYSA-N |
| QR Code |
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| DOI |
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| Downloads |
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|
| Elements |
C
F
H
O
N
S
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