Geometry & MOs

Info

ID:

1539

PubChem CID:

4664

Reduced:

SP3N10O14C21H29 (1)

Stoich.:

AB3C10D14E21F29 (1)

Weight, g/mol:

770.079828

ΔHf, kcal/mol:

-655.4

Dipole, Da:

6.36

IP(EA), eV:

 -8.97(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphinic acid

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)S)O)O)O)N

DOS

IR

Vibrations