Formula |
C17H16F3NO3S |
IUPAC Name |
(2s)-3-(1-naphthyl)-2-[[(2s)-3,3,3-trifluoro-2-(sulfanylmethyl)propanoyl]amino]propanoic acid |
Molecular Mass |
371.374 g·mol−1 |
Heat of Formation |
-1101.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.55 ± 1.08 D |
Volume |
408.23 Å 3 |
Surface Area |
312.92 Å 2 |
HOMO Energy |
-9.11 ± 0.55 eV |
LUMO Energy |
-0.90 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VHNKNFNSIIVFBL-KBPBESRZSA-N |
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Elements |
C
F
H
O
N
S
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