(2S,11As,11Br)-11B-Hydroxy-2-Methylhexahydro-9H-[1,3]Oxazolo[2,3-D]Pyrrolo[1,2-B][1,2,5]Thiadiazepin-3(2H)-One 7,7-Dioxide

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Properties Simple | Detailed

Formula C10H16N2O5S
IUPAC Name (2s,11as,11br)-11b-hydroxy-2-methylhexahydro-9h-[1,3]oxazolo[2,3-d]pyrrolo[1,2-b][1,2,5]thiadiazepin-3(2h)-one 7,7-dioxide
Molecular Mass 276.309 g·mol−1
Heat of Formation -899.9 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 293.24 Å 3
Surface Area 241.54 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 3.46 ± eV
Point Group Symmetry C1
Synonyms
  • 9h-oxazolo(2,3-d)pyrrolo(1,2-b)(1,2,5)thiadiazepin-3(2h)-one, hexahydro-11b-hydroxy-2-methyl-, 7,7-dioxide, (2s-(2alpha,11abeta,11bbeta))-
  • oxa-glycol
CAS Number(s)
  • 134166-77-1
InChIKey QOSWFGIZVQRPNU-OYNCUSHFSA-N
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