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

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Properties Simple | Detailed

Formula C17H17NO4S
IUPAC Name 4-[(s)-isocyano(p-tolylsulfonyl)methyl]-1,2-dimethoxy-benzene
Molecular Mass 331.386 g·mol−1
Heat of Formation -267.4 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 388.82 Å 3
Surface Area 341.96 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
InChIKey BBHGJASHMFZDSX-KRWDZBQOSA-N
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