Simaomicin A

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Formula C28H26NO10++
IUPAC Name simaomicin a
Molecular Mass 536.507 g·mol−1
Heat of Formation -1493.0 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 555.36 Å 3
Surface Area 463.56 Å 2
HOMO Energy -7.92 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey DQPBSXMRMTWOAQ-MGPQQGTHSA-N
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Elements H C O N