N-(4-{[(Z)-1,2-Diamino-2-Nitrosovinyl]Amino}Butyl)-2-(1,7-Dihydroxy-1H-Indol-3-Yl)-2-Oxoacetamide

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Properties Simple | Detailed

Formula C16H21N6O5
IUPAC Name [(2z)-2-amino-1-[4-[[2-(1,7-dihydroxyindol-1-ium-3-yl)-2-oxo-acetyl]amino]butylamino]-2-oxidoimino-ethylidene]ammonium
Molecular Mass 377.375 g·mol−1
Heat of Formation -291.1 ± 16.7 kJ·mol−1
Dipole Moment 8.73 ± 1.08 D
Volume 425.73 Å 3
Surface Area 395.32 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • birnbaumin b
  • n-[4-[[(z)-1,2-diamino-2-nitroso-ethenyl]amino]butyl]-2-(1,7-dihydroxyindol-3-yl)-2-oxo-ethanamide
  • n-[4-[[(z)-1,2-diamino-2-nitroso-vinyl]amino]butyl]-2-(1,7-dihydroxyindol-3-yl)-2-keto-acetamide
  • n-[4-[[(z)-1,2-diamino-2-nitroso-vinyl]amino]butyl]-2-(1,7-dihydroxyindol-3-yl)-2-oxo-acetamide
  • n-[4-[[(z)-1,2-diamino-2-nitrosoethenyl]amino]butyl]-2-(1,7-dihydroxyindol-3-yl)-2-oxoacetamide
  • n-[4-[[(z)-1,2-diamino-2-nitrosovinyl]amino]butyl]-2-(1,7-dihydroxy-3-indolyl)-2-oxoacetamide
InChIKey FLACAKNDCLFMEK-PFONDFGASA-N
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