(S)-6,7-Dihydro-1,2,3,10-Tetramethoxy-7-(Methyl(7-Nitro-4-Benzofurazanyl)Amino)Benzo(A)Heptalen-9(5H)-One

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Properties Simple | Detailed

Formula C27H26N4O8
IUPAC Name (7s)-1,2,3,10-tetramethoxy-7-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-6,7-dihydro-5h-benzo[a]heptalen-9-one
Molecular Mass 534.517 g·mol−1
Heat of Formation -195.6 ± 16.7 kJ·mol−1
Dipole Moment 11.17 ± 1.08 D
Volume 597.99 Å 3
Surface Area 461.16 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -2.05 ± eV
Point Group Symmetry C1
Synonyms
  • (7s)-1,2,3,10-tetramethoxy-7-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-6,7-dihydro-5h-benzo[g]heptalen-9-one
  • (7s)-1,2,3,10-tetramethoxy-7-[methyl-(7-nitrobenzofurazan-4-yl)amino]-6,7-dihydro-5h-benzo[g]heptalen-9-one
  • benzo(a)heptalen-9(5h)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methyl(7-nitro-4-benzofurazanyl)amino)-, (s)-
  • n-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)colcemid
  • nbd-colcemid
CAS Number(s)
  • 108964-31-4
InChIKey DQARLXAFVVPTDP-KRWDZBQOSA-N
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