Formula |
C15H9BrN2O6S2 |
IUPAC Name |
(2r)-2-[(5z)-5-(5-bromo-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]butanedioic acid |
Molecular Mass |
457.276 g·mol−1 |
Heat of Formation |
-724.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.43 ± 1.08 D |
Volume |
413.36 Å 3 |
Surface Area |
349.96 Å 2 |
HOMO Energy |
-8.94 ± 0.55 eV |
LUMO Energy |
-2.22 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
QGNRETMYLHRUBB-OZEWEUHLSA-N |
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Links |
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Elements |
C
H
O
N
S
Br
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