16,21,32,36-Tetrabromo-4,20-Dihydroxy-12,25-Bis(Hydroxyimino)-2,18-Dioxa-10,27-Diazapentacyclo[28.2.2.2~14,17~.1~3,7~.1~19,23~]Octatriaconta-1(32),3(38),4,6,14,16,19(35),20,22,30,33,36-Dodecaene-11,26-Dione

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Formula C34H28Br4N4O8
IUPAC Name 16,21,32,36-tetrabromo-4,20-dihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2 14,17 .1 3,7 .1 19,23 ]octatriaconta-1(32),3(38),4,6,14,16,19(35),20,22,30,33,36-dodecaene-11,26-dione
Molecular Mass 940.224 g·mol−1
Heat of Formation -633.4 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 866.06 Å 3
Surface Area 565.24 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 2,18-dioxa-10,27-diazapentacyclo(28.2.2.214,17.13,7.119,23)octatriaconta-3,5,7(38),14,16,19,21,23(35),30,32,33,36-dodecaene-11,12,25,26-tetrone, 16,21,32,36-tetrabromo-4,20-dihydroxy-, 12,25-dioxime, (e,e)-
  • bastadin 9
CAS Number(s)
  • 127687-07-4
InChIKey IHQGNSPVGIMQBJ-ZHEAWEGVSA-N
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