Chetoseminudin A

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Properties Simple | Detailed

Formula C31H30N6O6S5
IUPAC Name chetoseminudin a
Molecular Mass 742.931 g·mol−1
Heat of Formation -561.0 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 772.66 Å 3
Surface Area 548.02 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.98 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,6ar,11bs,12as)-4-(hydroxymethyl)-11b-(3-{[(1s,4s)-4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl}-1h-indol-1-yl)-14-methyl-6a,7,11b,12-tetrahydro-4,12a-
  • 4,12a-(iminomethano)-12ah-[1,2,3,5]trithiazepino[5',4':1,5]pyrrolo[2,3-b]indole-5,13(4h)-dione, 6a,7,11b,12-tetrahydro-4-(hydroxymethyl)-11b-[3-[[(1s,4s)-4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-d
InChIKey DIUIQJFZKRAGBZ-YWZWRZHGSA-N
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