2-(5-Oxo-L-Prolyl-L-Histidyl)-2-Azabicyclo[2.1.1]Hexane-1-Carboxamide

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Properties Simple | Detailed

Formula C17H22N6O4
IUPAC Name 3-[(2s)-3-imidazol-3-ium-4-ylium-4-yl-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-3-azabicyclo[2.1.1]hexane-4-carboxamide
Molecular Mass 374.394 g·mol−1
Heat of Formation -420.1 ± 16.7 kJ·mol−1
Dipole Moment 1.64 ± 1.08 D
Volume 441.59 Å 3
Surface Area 364.92 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
InChIKey MNAXZXBQMUXGHD-KQIWDBKYSA-N
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