(2R,2'R,3S,4S,9'E,11'R,13'E,15'Z)-4,11'-Dihydroxy-2',4,9'-Trimethyl-4'H,5H,12'H-Spiro[1,2-Dithiolane-3,6'-[19]Thia[3,20]Diazabicyclo[15.2.1]Icosa[1(20),9,13,15,17]Pentaene]-4',5,12'-Trione 2-Oxide

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Formula C22H27N2O6S3
IUPAC Name (2z,4e,4'r,7r,8e,12r,16r)-4',7-dihydroxy-4',9,16-trimethyl-1'-oxospiro[18-thia-15,20-diazabicyclo[15.2.1]icosa-1(19),2,4,8,17(20)-pentaene-12,5'-dithiolane]-3',6,14-trione
Molecular Mass 511.655 g·mol−1
Heat of Formation -680.0 ± 16.7 kJ·mol−1
Dipole Moment 7.27 ± 1.08 D
Volume 578.27 Å 3
Surface Area 421.84 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry C1
InChIKey ZHTRILQJTPJGNK-HFFRXUATSA-N
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