2-Oxo-6-Phenyl-3,4-Dihydro-2H-5,1-Benzothiazocine-1(6H)-Carboxylic Acid

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Formula C17H15NO3S
IUPAC Name (6r)-2-oxo-6-phenyl-4,6-dihydro-3h-5,1-benzothiazocine-1-carboxylic acid
Molecular Mass 313.371 g·mol−1
Heat of Formation -322.4 ± 16.7 kJ·mol−1
Dipole Moment 2.34 ± 1.08 D
Volume 354.58 Å 3
Surface Area 297.61 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
InChIKey ATWDUDUJCAOQAR-INIZCTEOSA-N
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