(3S,5S,7S)-N-[6-({5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanoyl}Amino)Hexyl]-1-Adamantanecarboxamide

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Properties Simple | Detailed

Formula C27H44N4O3S
IUPAC Name n-[6-[5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexyl]adamantane-1-carboxamide
Molecular Mass 504.728 g·mol−1
Heat of Formation -777.8 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 629.56 Å 3
Surface Area 551.23 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
InChIKey NNMHABAHPQWWQL-NXADIFAKSA-N
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