(8As)-7-[(6-Chloro-2-Naphthyl)Sulfonyl]-8A-(Methoxymethyl)-1'-(4-Pyridinyl)Tetrahydro-5H-Spiro[1,3-Oxazolo[3,2-A]Pyrazine-2,4'-Piperidin]-5-One

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Properties Simple | Detailed

Formula C27H29ClN4O5S
IUPAC Name (7s,8as)-7-(benzenesulfonyl)-8a-(methoxymethyl)-1'-(4-pyridyl)spiro[6,8-dihydro-3h-oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one chloride
Molecular Mass 557.061 g·mol−1
Heat of Formation -540.5 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 620.28 Å 3
Surface Area 499.71 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 1.44 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-7-[(6-chloro-2-naphthalenyl)sulfonyl]tetrahydro-8a-(methoxymethyl)-1'-(4-pyridinyl)-spiro[5h-oxazolo[3,2-a]pyrazine-2(3h),4'-piperidin]-5-one
  • (8as)-7-(6-chloronaphthalen-2-yl)sulfonyl-8a-(methoxymethyl)-1'-pyridin-4-yl-spiro[6,8-dihydro-3h-[1,3]oxazolo[2,3-f]pyrazine-2,4'-piperidine]-5-one
  • (8as)-7-(6-chloronaphthalen-2-yl)sulfonyl-8a-(methoxymethyl)-1'-pyridin-4-ylspiro[6,8-dihydro-3h-[1,3]oxazolo[2,3-f]pyrazine-2,4'-piperidine]-5-one
  • (8as)-7-[(6-chloro-2-naphthyl)sulfonyl]-8a-(methoxymethyl)-1'-(4-pyridyl)-5-spiro[6,8-dihydro-3h-oxazolo[2,3-f]pyrazine-2,4'-piperidine]one
  • (8as)-7-[(6-chloro-2-naphthyl)sulfonyl]-8a-(methoxymethyl)-1'-(4-pyridyl)spiro[6,8-dihydro-3h-oxazolo[2,3-f]pyrazine-2,4'-piperidine]-5-one
  • xma
InChIKey OCCGRNQFQCNISA-MHZLTWQESA-N
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