Geometry & MOs

Info

ID:

974

PubChem CID:

3605

Reduced:

SP3N7O17C27H46 (1)

Stoich.:

AB3C7D17E27F46 (1)

Weight, g/mol:

865.188375

ΔHf, kcal/mol:

-895.59

Dipole, Da:

1.29

IP(EA), eV:

 -9.26(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexanethioate

Drug info:

PubChemData

Smile

CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

DOS

IR

Vibrations