Doxycycline (Anhydrous)

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Formula C22H24N2O8
IUPAC Name (4s,4ar,5s,5ar,6r,12as)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4a,5,5a,6-tetrahydro-4h-tetracene-2-carboxamide
Molecular Mass 444.435 g·mol−1
Heat of Formation -1259.2 ± 16.7 kJ·mol−1
Dipole Moment 7.10 ± 1.08 D
Volume 487.67 Å 3
Surface Area 382.7 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey JBIWCJUYHHGXTC-AKNGSSGZSA-N
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