[(1As,8S,8Ar,8Bs)-6,8A-Dimethoxy-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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Properties Simple | Detailed

Formula C16H19N3O6
IUPAC Name [(4s,6s,7r,8s)-7,11-dimethoxy-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 349.339 g·mol−1
Heat of Formation -636.3 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 386.5 Å 3
Surface Area 325.87 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
Synonyms
  • azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-6,8a-dimethoxy-5-methyl-, carbamate (ester)
  • azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-5-methyl-, (1ar-(1aalpha,8beta,8aalpha,8balpha))- (9ci)
InChIKey HYFMSAFINFJTFH-NGSRAFSJSA-N
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