Geometry & MOs

Info

ID:

384972

PubChem CID:

134978062

Reduced:

N2S2P3C10O12H13 (1)

Stoich.:

A2B2C3D10E12F13 (1)

Weight, g/mol:

1393.090146

ΔHf, kcal/mol:

-556.46

Dipole, Da:

3.51

IP(EA), eV:

 -9.71(-2.76)

Spin(Sz, S2):

 None, None

Charge, e:

 -5

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(dioxidophosphinothioyloxymethyl)-4-hydroxyoxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(OP(=O)([O-])OP(=O)([O-])[O-])[S-])O

DOS

IR

Vibrations