10H-3,10A-Epidithiopyrazino(1,2-A)Indole-1,4-Dione, 2,3-Dihydro-6-Hydroxy-3-(Hydroxymethyl)-2-Methyl-, (3R)-

Molecule SVG Image

Properties Simple | Detailed

Formula C13H12N2O4S2
IUPAC Name (1r)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.0 1,9 .0 3,8 ]pentadeca-3,5,7-triene-10,14-dione
Molecular Mass 324.375 g·mol−1
Heat of Formation -462.9 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 329.07 Å 3
Surface Area 278.81 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 1.50 ± eV
Point Group Symmetry C1
InChIKey BNNLUYCZQNYABS-STQMWFEESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N