Geometry & MOs
Info
ID: |
434144 |
PubChem CID: |
135174307 |
Reduced: |
P2N5O8C10H14 (1) |
Stoich.: |
A2B5C8D10E14 (1) |
Weight, g/mol: |
675.120356 |
ΔHf, kcal/mol: |
-308.94 |
Dipole, Da: |
4.53 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.804465 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(3R,4R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] [(4R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxyoxolan-2-yl]methyl hydrogen phosphate