2-[(2-Nitrophenyl)Sulfanyl]-5-Phenyl-1,3-Cyclohexanedione

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Formula C18H15NO4S
IUPAC Name 2-(2-nitrophenyl)sulfanyl-5-phenyl-cyclohexane-1,3-dione
Molecular Mass 341.381 g·mol−1
Heat of Formation -128.3 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 375.77 Å 3
Surface Area 311.84 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
InChIKey CVKXTYKGXUQQPQ-KTXOBNNYSA-N
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