[(8S,8Ar)-6-Amino-8A-Hydroxy-1,5-Dimethyl-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 C15H18N4O5
IUPAC Name [(4r,6r,7r,8s)-11-amino-7-hydroxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Molecular Mass 334.327 g·mol−1
Heat of Formation -528.9 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 374.32 Å 3
Surface Area 318.17 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
InChIKey JHIATKDBEBOOCO-YTSOGGBBSA-N
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