Formula |
C21H15BrClN3O4 |
IUPAC Name |
(e)-3-[3-bromo-5-[4-chloro-2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]phenyl]prop-2-enenitrile |
Molecular Mass |
488.719 g·mol−1 |
Heat of Formation |
-239.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.82 ± 1.08 D |
Volume |
491.12 Å 3 |
Surface Area |
403.7 Å 2 |
HOMO Energy |
-9.36 ± 0.55 eV |
LUMO Energy |
-1.31 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CDXBVRNWNVMMGU-OWOJBTEDSA-N |
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Elements |
C
Cl
H
O
N
Br
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