5-[(3As,4S,6Ar)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-4-Yl]-N-[4-[(1S,7S)-7-Oxido-Blahbicyclo[3.2.0]Heptan-7-Yl]Phenyl]Pentanamide

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Formula C18H27IrN5O4S2+
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-[4-[(1s,7s)-7-oxido-blahbicyclo[3.2.0]heptan-7-yl]phenyl]pentanamide
Molecular Mass 633.785 g·mol−1
Heat of Formation -261.7 ± 16.7 kJ·mol−1
Dipole Moment 8.30 ± 1.08 D
Volume 525.66 Å 3
Surface Area 458.93 Å 2
HOMO Energy -7.85 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
InChIKey NMNZJBDFQCNKPU-HAGMFFOZSA-N
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