(5S,9S,10R)-N-[2-(2-Amino-1H-Imidazol-4-Yl)Ethyl]-7,9-Dibromo-10-Hydroxy-8-Oxo-1-Oxa-2-Azaspiro[4.5]Deca-2,6-Diene-3-Carboxamide

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Properties Simple | Detailed

Formula C14H15Br2N5O4
IUPAC Name (5s,6r,7s)-n-[2-(2-amino-1h-imidazol-5-yl)ethyl]-7,9-dibromo-6-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,9-diene-3-carboxamide
Molecular Mass 477.108 g·mol−1
Heat of Formation -251.1 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 419.93 Å 3
Surface Area 330.78 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey LDLQYSHMABUOFS-OLUVUFQESA-N
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