Formula |
C27H32N4O3S2 |
IUPAC Name |
[(5e)-4-(cyclohepta-2,4,6-trien-1-ylideneamino)-5-(6-hydroxy-3-methylidyneammonio-hexa-1,5-diynyl)imino-6-thioxo-cyclohex-2-en-1-yl]-methylidyne-ammonium; ethynesulfinate |
Molecular Mass |
524.698 g·mol−1 |
Heat of Formation |
-173.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.91 ± 1.08 D |
Volume |
627.48 Å 3 |
Surface Area |
479.11 Å 2 |
HOMO Energy |
-8.78 ± 0.55 eV |
LUMO Energy |
-1.01 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YIEVWZCZMDYKQH-UHFFFAOYSA-N |
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Elements |
H
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