1-Benzyl-3-(Benzyloxymethyl)-2,1,3-Benzothiadiazin-4-One 2,2-Dioxide

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Properties Simple | Detailed

Formula C22H20N2O4S
IUPAC Name (1r)-1-benzyl-3-(benzyloxymethyl)-2,2-dioxo-2λ6,1,3-benzothiadiazin-4-one
Molecular Mass 408.470 g·mol−1
Heat of Formation -333.6 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 459.8 Å 3
Surface Area 385.3 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(benzyl)-3-(benzyloxymethyl)-2,2-diketo-benzo[d][1,2,6]thiadiazin-4-one
  • 1h-2,1,3-benzothiadiazin-4(3h)-one, 3-[(phenylmethoxy)methyl]-1-(phenylmethyl)-, 2,2-dioxide
  • 2,2-dioxo-3-(phenylmethoxymethyl)-1-(phenylmethyl)-4-benzo[d][1,2,6]thiadiazinone
  • 2,2-dioxo-3-(phenylmethoxymethyl)-1-(phenylmethyl)benzo[d][1,2,6]thiadiazin-4-one
InChIKey CTECFJDMEOWFOO-UHFFFAOYSA-N
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