5-[2-Ethoxy-5-(4-Ethylpiperazin-1-Yl)Sulfonyl-Pyridin-1-Ium-3-Id-3-Yl]-3-Ethyl-2-(2-Methoxyethyl)-4H-Pyrazolo[4,3-D]Pyrimidine-2,6-Diium-1-Id-7-One

Molecule SVG Image

Properties Simple | Detailed

Formula C23H40N7O5S+
IUPAC Name 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-1-ium-3-id-3-yl]-3-ethyl-2-(2-methoxyethyl)-4h-pyrazolo[4,3-d]pyrimidine-2,6-diium-1-id-7-one
Molecular Mass 526.673 g·mol−1
Heat of Formation -462.2 ± 16.7 kJ·mol−1
Dipole Moment 11.06 ± 1.08 D
Volume 605.7 Å 3
Surface Area 501.9 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
InChIKey VHKDJCHMRSUPLM-UHFFFAOYSA-O
QR Code Generate QR Code
Links PubChem
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N