| Formula |
C25H21N5O3S |
| IUPAC Name |
1-[2-(1-methylpyrazol-1-ium-2-id-4-yl)-11-oxo-benzo[1,2]cyclohepta[2,4-b]pyridin-9-yl]-n-(2-pyridylmethyl)methanesulfonamide |
| Molecular Mass |
471.531 g·mol−1 |
| Heat of Formation |
143.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.54 ± 1.08 D |
| Volume |
530.67 Å 3 |
| Surface Area |
465.19 Å 2 |
| HOMO Energy |
-8.93 ± 0.55 eV |
| LUMO Energy |
-1.36 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
VMJFTOSOFDEKTM-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
|
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