N,N'-{[3-(2-Amino-1H-Imidazol-5-Yl)-4-(2-Amino-5-Oxo-4,5-Dihydro-1H-Imidazol-4-Yl)-1,2-Cyclobutanediyl]Bis(Methylene)}Bis(4-Bromo-1H-Pyrrole-2-Carboxamide)

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Formula C22H24Br2N10O3
IUPAC Name n-[[(1s,2r,3r,4s)-3-(2-amino-4h-imidazole-4,5-diylium-5-yl)-2-[(4s)-2-amino-5-oxo-1,4-dihydroimidazol-4-yl]-4-[[(4-bromopyrrol-1-ium-2-ylium-2-carbonyl)amino]methyl]cyclobutyl]methyl]-4-bromo-pyrrol-1-ium-2-ylium-2-carboxamide
Molecular Mass 636.299 g·mol−1
Heat of Formation -12.5 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 617.79 Å 3
Surface Area 498.44 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
InChIKey BCDVBQKLSBGFBQ-QJHMNFFWSA-N
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Elements H C O Br N