N-[(3Ar,6As)-Hexahydrocyclopenta[C]Pyrrol-2(1H)-Ylcarbamoyl]-4-Methylbenzenesulfonamide

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Formula C15H21N3O3S
IUPAC Name 1-[(3ar,6as)-3,3a,4,5,6,6a-hexahydro-1h-cyclopenta[c]pyrrol-2-yl]-3-(p-tolylsulfonyl)urea
Molecular Mass 323.411 g·mol−1
Heat of Formation -406.7 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 372.01 Å 3
Surface Area 334.42 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3ar,6as)-3,3a,4,5,6,6a-hexahydro-1h-cyclopenta[c]pyrrol-2-yl]-3-(4-methylphenyl)sulfonyl-urea
  • 1-[(3ar,6as)-3,3a,4,5,6,6a-hexahydro-1h-cyclopenta[c]pyrrol-2-yl]-3-(4-methylphenyl)sulfonylurea
InChIKey BOVGTQGAOIONJV-BETUJISGSA-N
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