Formula |
C24H32ClNO4S |
IUPAC Name |
2-[1-[[(2r)-2-(4-chlorophenoxy)propoxy]amino]butylidene]-5-[(3s)-tetrahydrothiopyran-3-yl]cyclohexane-1,3-dione |
Molecular Mass |
466.033 g·mol−1 |
Heat of Formation |
-635.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.71 ± 1.08 D |
Volume |
558.5 Å 3 |
Surface Area |
451.12 Å 2 |
HOMO Energy |
-8.48 ± 0.55 eV |
LUMO Energy |
2.59 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
NZYQPWCHQXECMD-UMVZLMKMSA-N |
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Elements |
C
Cl
H
O
N
S
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