(1S,9S)-6-Chloro-5-Hydroxy-17-Methoxy-2-Oxa-10,11,12,13-Tetrathia-15,17-Diazatetracyclo[12.2.2.0~1,9~.0~3,8~]Octadeca-3,5,7-Triene-16,18-Dione

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Formula C12H9ClN2O5S4
IUPAC Name (1s,9s)-6-chloro-5-hydroxy-17-methoxy-2-oxa-10,11,12,13-tetrathia-15,17-diazatetracyclo[12.2.2.0 1,9 .0 3,8 ]octadeca-3,5,7-triene-16,18-dione
Molecular Mass 424.923 g·mol−1
Heat of Formation -496.8 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 402.73 Å 3
Surface Area 323.72 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 0.81 ± eV
Point Group Symmetry C1
InChIKey BYQXYZWYGWKZOQ-HOTUBEGUSA-N
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