7,9-Dibromo-N-{5-[(Diaminomethylene)Amino]Pentyl}-10-Hydroxy-8-Methoxy-1-Oxa-2-Azaspiro[4.5]Deca-2,6,8-Triene-3-Carboxamide

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Properties Simple | Detailed

Formula C16H23Br2N5O4
IUPAC Name (5s,6s)-7,9-dibromo-n-(5-guanidinopentyl)-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Molecular Mass 509.193 g·mol−1
Heat of Formation -332.0 ± 16.7 kJ·mol−1
Dipole Moment 6.31 ± 1.08 D
Volume 491.6 Å 3
Surface Area 373.0 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
InChIKey GCYSDIFCRYTRFB-CZUORRHYSA-N
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Elements H C O Br N