S-(4-Nitrophenyl) Ethanethioate

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Formula C8H7NO3S
IUPAC Name s-(4-nitrophenyl) ethanethioate
Molecular Mass 197.211 g·mol−1
Heat of Formation -90.3 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 217.16 Å 3
Surface Area 210.99 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 1.34 ± eV
Point Group Symmetry Cs
InChIKey BVDCBOVSJCGAPT-UHFFFAOYSA-N
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