Geometry & MOs

Info

ID:

15635

PubChem CID:

446384

Reduced:

SP3N7O17C35H62 (1)

Stoich.:

AB3C7D17E35F62 (1)

Weight, g/mol:

977.313576

ΔHf, kcal/mol:

-963.74

Dipole, Da:

3.4

IP(EA), eV:

 -9.12(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

DOS

IR

Vibrations