8-(Hydroxyamino)-2-(2-Methyl-1,4-Dioxa-8-Azaspiro[4.5]Dec-8-Yl)-6-(Trifluoromethyl)-4H-1,3-Benzothiazin-4-One

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Properties Simple | Detailed

Formula C17H18F3N3O4S+
IUPAC Name 8-(hydroxyamino)-2-[(3s)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-6-(trifluoromethyl)-1,3-benzothiazin-4-one
Molecular Mass 417.403 g·mol−1
Heat of Formation -1065.6 ± 16.7 kJ·mol−1
Dipole Moment 8.22 ± 1.08 D
Volume 432.39 Å 3
Surface Area 373.85 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 1.55 ± eV
Point Group Symmetry C1
InChIKey WTTODOLGMIMGNK-VIFPVBQESA-N
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