(1S,3S,11R,14S)-14-(Hydroxymethyl)-3-(3-{[(2S,5S)-5-(Hydroxymethyl)-1,4-Dimethyl-2,5-Bis(Methylsulfanyl)-3,6-Dioxo-2-Piperazinyl]Methyl}-1H-Indol-1-Yl)-18-Methyl-15,16-Dithia-10,12,18-Triazapentacyclo[12.2.2.0~1,12~.0~3,11~.0~4,9~]Octadeca-4,6,8-Triene-13,17-Dione

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Formula C33H36N6O6S4
IUPAC Name (1s,3s,11r,14s)-14-(hydroxymethyl)-3-(3-{[(2s,5s)-5-(hydroxymethyl)-1,4-dimethyl-2,5-bis(methylsulfanyl)-3,6-dioxo-2-piperazinyl]methyl}-1h-indol-1-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0 1,12 .0 3,11 .0 4,9 ]octadeca-4,6,8-triene-13,17-dione
Molecular Mass 740.936 g·mol−1
Heat of Formation 3307.9 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 584.41 Å 3
Surface Area 470.79 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -3.02 ± eV
Point Group Symmetry C1
InChIKey DNXUJPNYOCDWFN-ZIBPZDQUSA-N
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