1-[(2,3-Dihydroxy-4-Sulfo-Phenyl)Methyl]-7-Hydroxy-Isoquinolin-2-Ium-7-Ylium-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C16H30NO7S+
IUPAC Name 1-[(2,3-dihydroxy-4-sulfo-phenyl)methyl]-7-hydroxy-isoquinolin-2-ium-7-ylium-6-one
Molecular Mass 380.477 g·mol−1
Heat of Formation -994.2 ± 16.7 kJ·mol−1
Dipole Moment 8.43 ± 1.08 D
Volume 369.64 Å 3
Surface Area 327.48 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
InChIKey WWAUKGWWYQFERS-UHFFFAOYSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N