(E)-Buthiobate

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Properties Simple | Detailed

Formula C21H28N2S2
IUPAC Name 1-[(4-tert-butylphenyl)methylsulfanyl]-1-butylsulfanyl-n-(3-pyridyl)methanimine
Molecular Mass 372.590 g·mol−1
Heat of Formation 106.1 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 477.45 Å 3
Surface Area 348.93 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey ZZVVDIVWGXTDRQ-BSYVCWPDSA-N
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Elements H S C N