Formula |
C28H37NO4S |
IUPAC Name |
(2s)-2-[2-(4-aminophenyl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-4-hydroxy-2-isopropyl-3h-pyran-6-one |
Molecular Mass |
483.663 g·mol−1 |
Heat of Formation |
-705.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.84 ± 1.08 D |
Volume |
606.11 Å 3 |
Surface Area |
485.19 Å 2 |
HOMO Energy |
-8.10 ± 0.55 eV |
LUMO Energy |
-0.43 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZUBPKHVCBGWWGO-NDEPHWFRSA-N |
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Links |
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Elements |
H
S
C
O
N
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