N-[1-(2-Carbamothioyl-1-Pyrrolidinyl)-3-(1H-Imidazol-5-Yl)-1-Oxo-2-Propanyl]-5-Oxo-2-Pyrrolidinecarboxamide

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Properties Simple | Detailed

Formula C16H22N6O3S
IUPAC Name (2s)-n-[(1s)-2-[(2s)-2-carbamothioylpyrrolidin-1-yl]-1-(imidazol-3-ium-4-ylium-4-ylmethyl)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide
Molecular Mass 378.449 g·mol−1
Heat of Formation -350.7 ± 16.7 kJ·mol−1
Dipole Moment 9.33 ± 1.08 D
Volume 448.93 Å 3
Surface Area 377.88 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
InChIKey XDMCHYGXDNNEPU-SRVKXCTJSA-N
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