N-[3-(Diethylamino)Propyl]-6,7-Dimethoxy-3,4-Dihydro-2,1-Benzoxathiine-3-Carboxamide 1,1-Dioxide

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Formula C18H28N2O6S
IUPAC Name (3s)-n-[3-(diethylamino)propyl]-6,7-dimethoxy-1,1-dioxo-3,4-dihydro-2,1λ6-benzoxathiine-3-carboxamide
Molecular Mass 400.490 g·mol−1
Heat of Formation -961.8 ± 16.7 kJ·mol−1
Dipole Moment 10.08 ± 1.08 D
Volume 471.64 Å 3
Surface Area 397.18 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
InChIKey GKMUNXZFFRKDML-INIZCTEOSA-N
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