N-{6-[(Iodoacetyl)Amino]Hexyl}-5-[(4S)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanamide

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Formula C18H31IN4O3S
IUPAC Name 5-[(3ar,4s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-[6-[(2-iodoacetyl)amino]hexyl]pentanamide
Molecular Mass 510.433 g·mol−1
Heat of Formation -666.9 ± 16.7 kJ·mol−1
Dipole Moment 11.17 ± 1.08 D
Volume 537.97 Å 3
Surface Area 409.33 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
InChIKey DNXDWMHPTVQBIP-JKIFEVAISA-N
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