Geometry & MOs

Info

ID:

1967

PubChem CID:

5451

Reduced:

SP3N6C12O13H19 (1)

Stoich.:

AB3C6D12E13F19 (1)

Weight, g/mol:

579.994367

ΔHf, kcal/mol:

-699.24

Dipole, Da:

2.57

IP(EA), eV:

 -9.16(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-amino-2-oxoethyl)sulfanyl-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyphosphinic acid

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)N)O)O)N

DOS

IR

Vibrations