Formula |
C25H25N5O4S |
IUPAC Name |
5-isocyano-6-[[6-methyl-5-(1-methyl-3h-pyrazol-1-ium-3-ylium-5-yl)-1-(m-tolyl)-2-oxo-pyridin-1-ium-3-ide-3-carbonyl]amino]hexa-1,3-diyne-1-sulfinate |
Molecular Mass |
491.562 g·mol−1 |
Heat of Formation |
-258.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.62 ± 1.08 D |
Volume |
563.67 Å 3 |
Surface Area |
484.38 Å 2 |
HOMO Energy |
-9.39 ± 0.55 eV |
LUMO Energy |
-1.43 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YJEYBWGLNFHFFA-UHFFFAOYSA-N |
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Elements |
H
S
C
O
N
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