Difethialone

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Properties Simple | Detailed

Formula C31H23BrO2S
IUPAC Name 3-[(1s,3s)-3-[4-(4-bromophenyl)phenyl]tetralin-1-yl]-2-hydroxy-thiochromen-4-one
Molecular Mass 539.482 g·mol−1
Heat of Formation 115.9 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 578.71 Å 3
Surface Area 464.15 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
InChIKey VSVAQRUUFVBBFS-KCWPFWIISA-N
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Elements C H S O Br