N-{2-[4-Hydroxy-3-(~125~I)Iodophenyl]Ethyl}-5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanamide

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Properties Simple | Detailed

Formula C18H24IN3O3S
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-[2-(4-hydroxy-3-iodo-phenyl)ethyl]pentanamide
Molecular Mass 489.371 g·mol−1
Heat of Formation -466.2 ± 16.7 kJ·mol−1
Dipole Moment 9.55 ± 1.08 D
Volume 481.69 Å 3
Surface Area 359.5 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
InChIKey VUSGDMJLYUSDDM-QRTARXTBSA-N
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