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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Elements |
C
F
H
O
N
S
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