(11-Acetyl-4-Formyl-6,9-Dihydroxy-14-Oxa-1,11-Diazatetracyclo[7.4.1.0~2,7~.0~10,12~]Tetradeca-2,4,6-Trien-8-Yl)Methyl Carbamate

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Properties Simple | Detailed

Formula C16H17N3O7
IUPAC Name (11-acetyl-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.0 2,7 .0 10,12 ]tetradeca-2,4,6-trien-8-yl)methyl carbamate
Molecular Mass 363.322 g·mol−1
Heat of Formation -831.6 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 395.57 Å 3
Surface Area 322.05 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey GBDZIDKLGSDRFT-WTDLIYNASA-N
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