Geometry & MOs

Info

ID:

384324

PubChem CID:

134976776

Reduced:

SN2P3C10H13O13 (1)

Stoich.:

AB2C3D10E13F13 (1)

Weight, g/mol:

594.001464

ΔHf, kcal/mol:

-535.44

Dipole, Da:

2.77

IP(EA), eV:

 -9.84(-2.35)

Spin(Sz, S2):

 None, None

Charge, e:

 -3

Chem-info

IUPAC name:

[[[(2R,3S,5R)-5-(6-amino-2-benzylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-oxidophosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations