(5Z)-7-{(1R,2R,3R,4S)-3-[(1E)-N-(Phenylcarbamothioyl)Ethanehydrazonoyl]Bicyclo[2.2.1]Hept-2-Yl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C23H31N3O2S
IUPAC Name (z)-7-[(1r,2r,3r,4s)-3-[(e)-c-methyl-n-(phenylcarbamothioylamino)carbonimidoyl]norbornan-2-yl]hept-5-enoic acid
Molecular Mass 413.576 g·mol−1
Heat of Formation -179.7 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 525.4 Å 3
Surface Area 390.14 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,3r,4s)-3-[(1e)-1-[[(phenylamino)-thioxomethyl]hydrazono]ethyl]-2-norbornanyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r,4s)-3-[c-methyl-n-(phenylcarbamothioylamino)carbonimidoyl]norbornan-2-yl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r,4s)-3-[c-methyl-n-(phenylthiocarbamoylamino)carbonimidoyl]norbornan-2-yl]hept-5-enoic acid
  • (z)-7-[(1r,4s,5r,6r)-5-[c-methyl-n-(phenylcarbamothioylamino)carbonimidoyl]-6-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
  • 5-heptenoic acid, 7-(3-(1-(((phenylamino)thioxomethyl)hydrazono)ethyl)bicyclo(2.2.1)hept-2-yl)-, (1alpha,2beta(z),3alpha,4alpha)-(+-)-
  • ep 092
  • ep-092
CAS Number(s)
  • 96384-09-7
InChIKey JFHMOIUQQPMUFD-GNZWDLFMSA-N
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