Formula |
C23H24FN3O2S |
IUPAC Name |
(2z)-n-[[(2r)-1-ethylpyrrolidin-2-yl]methyl]-2-[(2-fluorophenyl)methylidene]-3-oxo-4h-1,4-benzothiazine-6-carboxamide |
Molecular Mass |
425.519 g·mol−1 |
Heat of Formation |
-291.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.97 ± 1.08 D |
Volume |
496.99 Å 3 |
Surface Area |
435.56 Å 2 |
HOMO Energy |
-8.47 ± 0.55 eV |
LUMO Energy |
-0.86 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SPCVDRWAFFUROT-OJSPLJLUSA-N |
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Elements |
C
F
H
O
N
S
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