Formula |
C18H29N7O2S |
IUPAC Name |
6-[2-(4-methylpiperazin-1-yl)ethylamino]-n-(1,3,5-trimethylpyrazol-1-ium-5-ylium-4-yl)pyridine-3-sulfonamide |
Molecular Mass |
407.534 g·mol−1 |
Heat of Formation |
-53.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.88 ± 1.08 D |
Volume |
492.69 Å 3 |
Surface Area |
407.59 Å 2 |
HOMO Energy |
-8.89 ± 0.55 eV |
LUMO Energy |
2.58 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RLKMGPCSKXTKNK-UHFFFAOYSA-N |
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Elements |
H
C
S
O
N
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