2-Amino-8-[2-(4-Methoxyphenyl)-2-Oxo-Ethyl]Sulfanyl-1,7-Dihydropurine-3,9-Diium-5-Id-6-One
Properties
Property | Value |
---|---|
Formula | C14H15N5O3S |
IUPAC Name | 2-amino-8-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,7-dihydropurine-3,9-diium-5-id-6-one |
Molecular Mass | 333.366 g·mol−1 |
Heat of Formation | -122.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.62 ± 1.08 D |
Volume | 357.8 Å 3 |
Surface Area | 335.51 Å 2 |
HOMO Energy | -8.63 ± 0.55 eV |
LUMO Energy | 2.40 ± eV |
Point Group Symmetry | C1 |
InChIKey | TZIXXCWVLHTFRW-UHFFFAOYSA-O |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |