Ethyl [4-(1,3-Benzothiazol-2-Yl)Benzyl](2-Oxo-1-Pyrrolidinyl)Phosphinate

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Properties Simple | Detailed

Formula C20H21N2O3PS
IUPAC Name 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]pyrrolidin-2-one
Molecular Mass 400.431 g·mol−1
Heat of Formation -477.6 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 460.09 Å 3
Surface Area 374.37 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey HTAUUADKDLLMRU-AREMUKBSSA-N
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