Formula |
C20H14ClF2N3O2 |
IUPAC Name |
(5z)-5-[(6-chloro-7-methyl-5h-indol-1-ium-5-id-3-yl)methylene]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione |
Molecular Mass |
401.794 g·mol−1 |
Heat of Formation |
-439.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.12 ± 1.08 D |
Volume |
428.91 Å 3 |
Surface Area |
380.18 Å 2 |
HOMO Energy |
-8.76 ± 0.55 eV |
LUMO Energy |
-1.22 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OEXMEVPQEPHTAQ-IDUWFGFVSA-N |
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Links |
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Elements |
C
Cl
H
F
O
N
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