Geometry & MOs
Info
ID: |
434473 |
PubChem CID: |
135175016 |
Reduced: |
ON3C31H37 (1) |
Stoich.: |
AB3C31D37 (1) |
Weight, g/mol: |
698.063353 |
ΔHf, kcal/mol: |
157.63 |
Dipole, Da: |
6.02 |
IP(EA), eV: |
-7.77(-0.53) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[(1S,6R,10R,15R,17R,18R)-17-(2-amino-6-oxo-3H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-9-yl]-2,4-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one