Formula |
C21H23BrN2O6S |
IUPAC Name |
4-bromo-3-(carboxymethoxy)-5-[3-[cyclohexyl(methylcarbamoyl)amino]phenyl]thiophene-2-carboxylic acid |
Molecular Mass |
511.386 g·mol−1 |
Heat of Formation |
-905.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.70 ± 1.08 D |
Volume |
518.47 Å 3 |
Surface Area |
442.32 Å 2 |
HOMO Energy |
-8.82 ± 0.55 eV |
LUMO Energy |
1.75 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PXYOQUGPJYIRGZ-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
C
H
O
N
S
Br
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