Geometry & MOs
Info
ID: |
434164 |
PubChem CID: |
135174327 |
Reduced: |
PN2O6C7H15 (1) |
Stoich.: |
AB2C6D7E15 (1) |
Weight, g/mol: |
744.04455 |
ΔHf, kcal/mol: |
-281.31 |
Dipole, Da: |
3.7 |
IP(EA), eV: |
-9.56(0.19) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
5-amino-3-[(1R,6R,9S,10R,15R,18S)-9-(7-amino-2-methyl-1H-triazolo[4,5-d]pyrimidin-3-yl)-9,18-difluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-1-yl]-2H-triazolo[4,5-d]pyrimidin-7-one