5-Oxo-L-Prolyl-3-(1H-Pyrazol-5-Yl)-L-Alanyl-L-Prolinamide

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Properties Simple | Detailed

Formula C16H22N6O4
IUPAC Name (2s)-n-[(1r)-2-[(2r)-2-carbamoylpyrrolidin-1-yl]-2-oxo-1-(pyrazol-2-ium-1-id-3-ylmethyl)ethyl]-5-oxo-pyrrolidine-2-carboxamide
Molecular Mass 362.384 g·mol−1
Heat of Formation -590.4 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 423.61 Å 3
Surface Area 345.5 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 3.15 ± eV
Point Group Symmetry C1
InChIKey YMUAIJKCQCFCKS-QJPTWQEYSA-N
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