(5Z)-7-[(1R,2S,3S,5S)-3-{[(4-Iodophenyl)Sulfonyl]Amino}-6,6-Dimethylbicyclo[3.1.1]Hept-2-Yl]-5-Heptenoic Acid

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Formula C22H30INO4S
IUPAC Name (z)-7-[(1r,2s,3s,5s)-3-[(4-iodophenyl)sulfonylamino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
Molecular Mass 531.447 g·mol−1
Heat of Formation -602.5 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 542.99 Å 3
Surface Area 392.39 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2s,3s,5s)-3-[(4-iodophenyl)sulfonylamino]-6,6-dimethyl-2-norpinanyl]hept-5-enoic acid
  • (z)-7-[(1r,2s,3s,5s)-3-[(4-iodophenyl)sulfonylamino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
  • (z)-7-[(1r,2s,3s,5s)-3-[(4-iodophenyl)sulfonylamino]-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
InChIKey SZNMERGTFJHNSM-JSMWPFPQSA-N
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