6-(1,1-Dioxo-1,4-Thiazinan-4-Yl)-N-(3-Methoxyphenyl)-1-Methyl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-4-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C17H21N6O3S
IUPAC Name 6-(1,1-dioxo-1,4-thiazinan-4-yl)-n-(3-methoxyphenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-4-amine
Molecular Mass 389.452 g·mol−1
Heat of Formation -69.0 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 431.93 Å 3
Surface Area 373.93 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey CVHIOJZRWUFFPM-UHFFFAOYSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N