2-(2-Isothiocyanatophenyl)-N-Methyl-N-[(1S,2S)-2-(1-Pyrrolidinyl)Cyclohexyl]Acetamide

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Formula C20H27N3OS
IUPAC Name 2-(2-isothiocyanatophenyl)-n-methyl-n-[(1s,2s)-2-pyrrolidin-1-ylcyclohexyl]acetamide
Molecular Mass 357.513 g·mol−1
Heat of Formation -37.9 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 450.8 Å 3
Surface Area 340.88 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-isothiocyanatophenyl)-n-methyl-n-[(1s,2s)-2-1-pyrrolidinylcyclohexyl]acetamide
  • 2-(2-isothiocyanatophenyl)-n-methyl-n-[(1s,2s)-2-pyrrolidin-1-ylcyclohexyl]acetamide
  • 2-(2-isothiocyanatophenyl)-n-methyl-n-[(1s,2s)-2-pyrrolidin-1-ylcyclohexyl]ethanamide
  • 2-isothiocyanato-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
  • benzeneacetamide, 2-isothiocyanato-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-, (1s-trans)-
  • icmpcb
CAS Number(s)
  • 118243-28-0
InChIKey DVQHPFMHNHWLJF-OALUTQOASA-N
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