Geometry & MOs
Info
ID: |
434456 |
PubChem CID: |
135174985 |
Reduced: |
PSO5N6C9H15 (1) |
Stoich.: |
ABC5D6E9F15 (1) |
Weight, g/mol: |
691.054602 |
ΔHf, kcal/mol: |
-195.12 |
Dipole, Da: |
10.46 |
IP(EA), eV: |
-8.48(-0.54) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
5-amino-3-[(1R,6R,10S,18S)-9-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3,12,18-trihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13-pentaoxa-16-thia-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2H-triazolo[4,5-d]pyrimidin-7-one