N-{[4-Chloro-3-(Trifluoromethyl)Phenyl]Sulfonyl}-L-Tryptophan

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Formula C18H14ClF3N2O4S
IUPAC Name (2s)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-(2h-indol-1-ium-2-ylium-3-yl)propanoic acid
Molecular Mass 446.828 g·mol−1
Heat of Formation -1155.5 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 455.32 Å 3
Surface Area 370.4 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-(1h-indol-3-yl)propanoic acid
  • (2s)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-(1h-indol-3-yl)propionic acid
InChIKey YOZOZANENKPWEP-INIZCTEOSA-N
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Elements C Cl H F O N S