[(1As,8S,8As,8Bs)-6-Methoxy-5-Methyl-4,7-Dioxo-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 C15H17N3O5
IUPAC Name [(2r,4s,6s,7s,8s)-11-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Molecular Mass 319.313 g·mol−1
Heat of Formation -488.0 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 354.32 Å 3
Surface Area 291.42 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • demethoxymitomycin a
  • dmma
CAS Number(s)
  • 38202-60-7
InChIKey BZBPVNNDDNONCH-YIKMNZTOSA-N
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