4-(4-Fluorophenyl)-N-[3-Nitro-4-(2-Phenylsulfanylethylamino)Phenyl]Sulfonyl-Benzamide

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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 -349.1 ± 16.7 kJ·mol−1
Dipole Moment 5.60 ± 1.08 D
Volume 600.97 Å 3
Surface Area 531.61 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
InChIKey KKPGLZRWAKPKAG-UHFFFAOYSA-N
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