Geometry & MOs
Info
ID: |
319644 |
PubChem CID: |
126656909 |
Reduced: |
NOSC9H19 (1) |
Stoich.: |
ABCD9E19 (1) |
Weight, g/mol: |
1741.655053 |
ΔHf, kcal/mol: |
-90.58 |
Dipole, Da: |
4.43 |
IP(EA), eV: |
-8.88(0.29) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[[2-[2-[3-[[(2R)-4-[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl-carboxymethyl]sulfanylacetyl]amino]hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid