(2S)-N-[(1S)-2-[(2S)-2-Carbamoylpyrrolidin-1-Yl]-1-[(5-Fluoroimidazol-3-Ium-4-Ylium-4-Yl)Methyl]-2-Oxo-Ethyl]-5-Oxo-Pyrrolidine-2-Carboxamide

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Properties Simple | Detailed

Formula C16H21FN6O4
IUPAC Name (2s)-n-[(1s)-2-[(2s)-2-carbamoylpyrrolidin-1-yl]-1-[(5-fluoroimidazol-3-ium-4-ylium-4-yl)methyl]-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide
Molecular Mass 380.374 g·mol−1
Heat of Formation -774.0 ± 16.7 kJ·mol−1
Dipole Moment 8.36 ± 1.08 D
Volume 441.1 Å 3
Surface Area 370.67 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
InChIKey VECOTGLMMHXBFE-LSJOCFKGSA-N
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