Discorhabdin S

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Formula C20H16BrN3O2S
IUPAC Name discorhabdin s
Molecular Mass 442.329 g·mol−1
Heat of Formation 175.9 ± 16.7 kJ·mol−1
Dipole Moment 8.78 ± 1.08 D
Volume 429.1 Å 3
Surface Area 349.98 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
InChIKey SUNJGAGGHFRDIM-HXUWFJFHSA-N
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Elements C H O N S Br