Formula |
C22H24N4O6S3 |
IUPAC Name |
n-[3-[5-hydroxy-2-isopentyl-3-oxo-6-(2-thienyl)pyridazin-4-yl]-1,1-dioxo-2h-1λ6,4-benzothiazin-7-yl]methanesulfonamide |
Molecular Mass |
536.644 g·mol−1 |
Heat of Formation |
-617.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.36 ± 1.08 D |
Volume |
577.2 Å 3 |
Surface Area |
497.42 Å 2 |
HOMO Energy |
-8.72 ± 0.55 eV |
LUMO Energy |
-1.58 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KLPXSYJOJCQFSY-UHFFFAOYSA-N |
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Elements |
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