S-18986

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Formula C10H12N2O2S
IUPAC Name (3as,10s)-2,3,3a,4-tetrahydro-1h-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
Molecular Mass 224.279 g·mol−1
Heat of Formation -198.7 ± 16.7 kJ·mol−1
Dipole Moment 7.08 ± 1.08 D
Volume 242.78 Å 3
Surface Area 224.22 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrolo[2,1-c][1,2,4]benzothiadiazine, 2,3,3a,4-tetrahydro-, 5,5-dioxide
  • 2,3,3a,4-tetrahydro-1h-5-thia-4,9b-diaza-cyclopenta[a]naphthalene-5-5-dioxide
  • 2,3,3a,4-tetrahydro-1h-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
InChIKey MNTIJYGEITVWHU-SNVBAGLBSA-N
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