Geometry & MOs
Info
ID: |
59598 |
PubChem CID: |
24877540 |
Reduced: |
NS2O4C18H25 (1) |
Stoich.: |
AB2C4D18E25 (1) |
Weight, g/mol: |
1034.552231 |
ΔHf, kcal/mol: |
-180.0 |
Dipole, Da: |
4.29 |
IP(EA), eV: |
-9.01(-0.17) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
1-[(3R)-1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-6-[[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-[(3R)-3-[[(3R)-pyrrolidin-3-yl]carbamoylamino]pyrrolidin-1-yl]purin-6-yl]amino]cyclohexyl]amino]purin-2-yl]pyrrolidin-3-yl]-3-[(3R)-pyrrolidin-3-yl]urea