4-[(30R,36R)-39-Chloro-36-Oxido-39-(1,2,3,4,5-Pentamethylcyclopenta-2,4-Dien-1-Yl)-36-Phenyl-Blahtricyclo[Blah.Blah.Blah.Blah]Undeca-16,18(27)-Dien-22-Yl]Benzenesulfonamide

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Formula C28H33ClIrN3O4S2
IUPAC Name 4-[(30r,36r)-39-chloro-36-oxido-39-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-36-phenyl-blahtricyclo[blah.blah.blah.blah]undeca-16,18(27)-dien-22-yl]benzenesulfonamide
Molecular Mass 767.379 g·mol−1
Heat of Formation -153.5 ± 16.7 kJ·mol−1
Dipole Moment 9.58 ± 1.08 D
Volume 682.0 Å 3
Surface Area 500.45 Å 2
HOMO Energy -7.38 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
InChIKey KXOLYBOZOASXHW-UHFFFAOYSA-M
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Elements C Cl H Ir O N S