2-(3,4-Dichlorophenyl)-N-[(1S)-1-(3-Isothiocyanatophenyl)-2-(1-Pyrrolidinyl)Ethyl]-N-Methylacetamide

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Formula C22H23Cl2N3OS
IUPAC Name 2-(3,4-dichlorophenyl)-n-[(1s)-1-(3-isothiocyanatophenyl)-2-pyrrolidin-1-yl-ethyl]-n-methyl-acetamide
Molecular Mass 448.409 g·mol−1
Heat of Formation 79.8 ± 16.7 kJ·mol−1
Dipole Moment 7.47 ± 1.08 D
Volume 526.29 Å 3
Surface Area 432.91 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-3,4-dichloro-n-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)-n-methylbenzeneacetamide
  • (s)-dippa hydrochloride
  • 2-(3,4-dichlorophenyl)-n-[(1s)-1-(3-isothiocyanatophenyl)-2-1-pyrrolidinylethyl]-n-methylacetamide
  • 2-(3,4-dichlorophenyl)-n-[(1s)-1-(3-isothiocyanatophenyl)-2-pyrrolidin-1-yl-ethyl]-n-methyl-acetamide
  • 2-(3,4-dichlorophenyl)-n-[(1s)-1-(3-isothiocyanatophenyl)-2-pyrrolidin-1-yl-ethyl]-n-methyl-ethanamide
  • 2-(3,4-dichlorophenyl)-n-[(1s)-1-(3-isothiocyanatophenyl)-2-pyrrolidin-1-ylethyl]-n-methylacetamide
  • 2-(3,4-dichlorophenyl)-n-methyl-n-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)acetamide
  • 2-(3,4-dichlorophenyl)-n-methyl-n-[(1s)-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl]acetamide hydrochloride
  • benzeneacetamide, 3,4-dichloro-n-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)-n-methyl-, (s)-
  • dippa
CAS Number(s)
  • 155512-49-5
InChIKey BNAKCEFXXMHXDQ-OAQYLSRUSA-N
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