N-(6-Hydrazino-6-Oxohexyl)-5-[(3Ar,4S,6As)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanamide

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Properties Simple | Detailed

Formula C16H29N5O3S
IUPAC Name 5-[(3ar,4s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-(6-hydrazino-6-oxo-hexyl)pentanamide
Molecular Mass 371.498 g·mol−1
Heat of Formation -619.6 ± 16.7 kJ·mol−1
Dipole Moment 10.09 ± 1.08 D
Volume 465.28 Å 3
Surface Area 361.44 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(3as,6s,6ar)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-(6-hydrazino-6-keto-hexyl)valeramide
  • 5-[(3as,6s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-(6-hydrazino-6-oxo-hexyl)pentanamide
  • 5-[(3as,6s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-(6-hydrazino-6-oxohexyl)pentanamide
  • 5-[(3as,6s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-(6-hydrazinyl-6-oxo-hexyl)pentanamide
InChIKey IJJWOSAXNHWBPR-TYNCELHUSA-N
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