Formula |
C27H30ClN3O6 |
IUPAC Name |
2-(3-chlorophenoxy)-3-methoxy-4-[(1r)-1-[(3s)-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-1-piperidyl]propyl]benzoic acid |
Molecular Mass |
527.997 g·mol−1 |
Heat of Formation |
-892.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.80 ± 1.08 D |
Volume |
602.71 Å 3 |
Surface Area |
490.69 Å 2 |
HOMO Energy |
-9.11 ± 0.55 eV |
LUMO Energy |
2.15 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LWVFVEIAPUMILP-PGRDOPGGSA-N |
QR Code |
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Links |
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Elements |
H
C
N
O
Cl
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