3-{[4-(2,3-Dihydro-1,4-Benzodioxin-6-Ylsulfonyl)-1,4-Diazepan-1-Yl]Sulfonyl}Aniline

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Formula C19H23N3O6S2
IUPAC Name 3-[[(1s,4s)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline
Molecular Mass 453.532 g·mol−1
Heat of Formation -763.5 ± 16.7 kJ·mol−1
Dipole Moment 8.94 ± 1.08 D
Volume 484.81 Å 3
Surface Area 383.09 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
InChIKey GMHIOMMKSMSRLY-UHFFFAOYSA-N
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