N-(4'-Fluorobiphenyl-4-Ylcarbonyl)-3-Nitro-4-(2-Phenylsulfanylethylamino)Benzenesulfonamide

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Properties Simple | Detailed

Formula C27H22FN3O5S2
IUPAC Name 4-(4-fluorophenyl)-n-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide
Molecular Mass 551.609 g·mol−1
Heat of Formation -347.6 ± 16.7 kJ·mol−1
Dipole Moment 5.60 ± 1.08 D
Volume 599.38 Å 3
Surface Area 529.27 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide
  • n3b
InChIKey SWGIDRBGIJDBQO-UHFFFAOYSA-N
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