Nostocyclamide M

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Properties Simple | Detailed

Formula C20H22N6O4S3
IUPAC Name nostocyclamide m
Molecular Mass 506.621 g·mol−1
Heat of Formation -274.0 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 557.13 Å 3
Surface Area 461.11 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-5(24),7,12(23),14,19(22),21-hexaene-2,9,16-trione, 4,7-dimethyl-18-[2-(methylthio)ethyl]-, (4s,18r)-
  • rel-(4r,18s)-4,7-dimethyl-18-[2-(methylthio)ethyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
InChIKey DMFUPHMBLSJHNR-GXSJLCMTSA-N
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