{(1As,8S,8Ar,8Bs)-8A-Methoxy-5-Methyl-4,7-Dioxo-6-[(2-Sulfanylethyl)Amino]-1,1A,2,4,7,8,8A,8B-Octahydroazireno[2',3':3,4]Pyrrolo[1,2-A]Indol-8-Yl}Methyl Carbamate

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Formula C17H22N4O5S
IUPAC Name [(2s,4s,6s,7r,8s)-7-methoxy-12-methyl-10,13-dioxo-11-(2-sulfanylethylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Molecular Mass 394.445 g·mol−1
Heat of Formation -483.6 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 440.51 Å 3
Surface Area 369.24 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 7-cysteaminomitosane
  • rr 150
CAS Number(s)
  • 83586-81-6
InChIKey COKNNHGNZPVVTQ-CJUKMMNNSA-N
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