(3,4-Dimethoxyphenyl)(Isocyano)Methyl 4-Methylphenyl Sulfone

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Properties Simple | Detailed

Formula C17H18NO4S
IUPAC Name 4-[(s)-isocyano(p-tolylsulfonyl)methyl]-1,2-dimethoxy-benzene
Molecular Mass 332.394 g·mol−1
Heat of Formation -273.8 ± 16.7 kJ·mol−1
Dipole Moment 7.83 ± 1.08 D
Volume 396.99 Å 3
Surface Area 321.63 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
InChIKey BBHGJASHMFZDSX-QGZVFWFLSA-N
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