2-(Dimethylamino)-1-(6-Methyl-5,5-Dioxidodibenzo[C,F][1,2,5]Thiadiazepin-11(6H)-Yl)Ethanone

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Formula C17H19N3O3S
IUPAC Name 2-(dimethylamino)-1-[(6r)-6-methyl-5,5-dioxo-benzo[c][1,2,5]benzothiadiazepin-11-yl]ethanone
Molecular Mass 345.416 g·mol−1
Heat of Formation -212.6 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 388.16 Å 3
Surface Area 323.06 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 6-mdtd
  • 6-methyl-6,11-dihydro-11-((n,n-dimethylamino)acetyl)dibenzo(c,f)-(1,2,5)-thiadiazepine 5,5-dioxide
  • dibenzo(c,f)(1,2,5)thiadiazepine, 11-((dimethylamino)acetyl)-6,11-dihydro-6-methyl-, 5,5-dioxide
CAS Number(s)
  • 128377-70-8
InChIKey HHTWCWCZKQRKRJ-UHFFFAOYSA-N
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