Az-11713908

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Formula C23H18N4O3S2
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 462.544 g·mol−1
Heat of Formation 2869.3 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 491.16 Å 3
Surface Area 422.5 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -2.19 ± eV
Point Group Symmetry C1
InChIKey YIEVWZCZMDYKQH-UHFFFAOYSA-N
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