(3S,6S,9S,15Ar)-9-[(2R)-2-Butanyl]-6-[(1-Methoxy-1H-Indol-3-Yl)Methyl]-3-(6-Oxooctyl)Octahydro-2H-Pyrido[1,2-A][1,4,7,10]Tetraazacyclododecine-1,4,7,10(3H,12H)-Tetrone

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Formula C34H49N5O6
IUPAC Name (3s,6s,9s,12r)-6-[(1-methoxy-2h-indol-1-ium-2-ylium-3-yl)methyl]-3-[(1r)-1-methylpropyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
Molecular Mass 623.783 g·mol−1
Heat of Formation -991.5 ± 16.7 kJ·mol−1
Dipole Moment 11.30 ± 1.08 D
Volume 783.09 Å 3
Surface Area 552.9 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
InChIKey JWOGUUIOCYMBPV-VWIQTCEGSA-N
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