(1S,2S,3S,11R,14S)-14-Acetyl-3-[(5Ar,10Bs,11R,11As)-11A-Disulfanyl-11-Hydroxy-2-Methyl-1,4-Dioxo-1,2,3,4,5A,6,11,11A-Octahydro-10Bh-Pyrazino[1',2':1,5]Pyrrolo[2,3-B]Indol-10B-Yl]-2-Hydroxy-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 C30H28N6O7S4
IUPAC Name (1s,2s,3s,11r,14s)-14-acetyl-3-[(5ar,10bs,11r,11as)-11a-disulfanyl-11-hydroxy-2-methyl-1,4-dioxo-1,2,3,4,5a,6,11,11a-octahydro-10bh-pyrazino[1',2':1,5]pyrrolo[2,3-b]indol-10b-yl]-2-hydroxy-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 712.839 g·mol−1
Heat of Formation -785.6 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 726.44 Å 3
Surface Area 507.84 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 1.01 ± eV
Point Group Symmetry C1
InChIKey CVDBEMJTPGTIID-NFIMPBGESA-N
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