[(8R,9S,10S,12S)-6,9-Dihydroxy-4-(Hydroxymethyl)-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 C14H17N3O6
IUPAC Name [6,9-dihydroxy-4-(hydroxymethyl)-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 323.301 g·mol−1
Heat of Formation -723.1 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 347.11 Å 3
Surface Area 301.75 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey WUQJQATXUALTBZ-BSFTYYOTSA-N
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