N-Methyl-N-(4-{2,2,2-Trifluoro-1-Hydroxy-1-[1-(2-Methoxyethyl)-1H-Pyrrol-2-Yl]Ethyl}Phenyl)Benzenesulfonamide

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Properties Simple | Detailed

Formula C22H23F3N2O4S
IUPAC Name n-methyl-n-[4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)pyrrol-1-ium-2-ylium-2-yl]ethyl]phenyl]benzenesulfonamide
Molecular Mass 468.489 g·mol−1
Heat of Formation -1051.3 ± 16.7 kJ·mol−1
Dipole Moment 11.13 ± 1.08 D
Volume 512.48 Å 3
Surface Area 418.18 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
InChIKey YNUCWQDMZHYFEC-NRFANRHFSA-N
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