4-({[(2S,4R)-5-Amino-4-Hydroxy-3,4-Dihydro-2H-Pyrrol-2-Yl]Carbonyl}Amino)-N-[(1E)-3,3-Diamino-2-Propen-1-Ylidene]-1H-Pyrrole-2-Carboxamide

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Formula C13H17N7O3
IUPAC Name (ne)-3-[[(2s,4r)-5-amino-4-hydroxy-3,4-dihydro-2h-pyrrole-2-carbonyl]amino]-n-(3,3-diaminoprop-2-enylidene)-2h-pyrrol-1-ium-2-ylium-5-carboxamide
Molecular Mass 319.319 g·mol−1
Heat of Formation -194.4 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 361.61 Å 3
Surface Area 346.95 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey FEZFZAMQERADMD-KEICDQSLSA-N
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