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-[(1r)-1-(3-isothiocyanatophenyl)-2-pyrrolidin-1-yl-ethyl]-n-methyl-acetamide
Molecular Mass 448.409 g·mol−1
Heat of Formation 78.8 ± 16.7 kJ·mol−1
Dipole Moment 5.48 ± 1.08 D
Volume 502.14 Å 3
Surface Area 426.13 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey BNAKCEFXXMHXDQ-NRFANRHFSA-N
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