| Formula |
C27H28N6O3S |
| IUPAC Name |
n-[5-[3-(benzenesulfonamido)phenyl]pyrazol-1-ium-2-id-3-yl]-4-(4-methylpiperazin-1-yl)benzamide |
| Molecular Mass |
516.615 g·mol−1 |
| Heat of Formation |
39.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.70 ± 1.08 D |
| Volume |
592.54 Å 3 |
| Surface Area |
495.23 Å 2 |
| HOMO Energy |
-8.54 ± 0.55 eV |
| LUMO Energy |
-0.40 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
RRKKHABFIOHAOI-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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