N-{[4-({2-[(2,4-Dimethylphenyl)Sulfanyl]Ethyl}Amino)-3-Nitrophenyl]Sulfonyl}-4'-Fluoro-4-Biphenylcarboxamide

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Properties Simple | Detailed

Formula C29H26FN3O5S2
IUPAC Name n-[4-[2-(2,4-dimethylphenyl)sulfanylethylamino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide
Molecular Mass 579.662 g·mol−1
Heat of Formation -424.1 ± 16.7 kJ·mol−1
Dipole Moment 7.71 ± 1.08 D
Volume 642.92 Å 3
Surface Area 563.58 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 4-({2-[(2,4-dimethylphenyl)sulfanyl]ethyl}amino)-n-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitrobenzenesulfonamide
  • 4eb
InChIKey ZNFYRQYKAQRTCH-UHFFFAOYSA-N
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