Geometry & MOs

Info

ID:

169994

PubChem CID:

75178903

Reduced:

S2N3O3C18H25 (1)

Stoich.:

A2B3C3D18E25 (1)

Weight, g/mol:

705.007286

ΔHf, kcal/mol:

-60.06

Dipole, Da:

6.22

IP(EA), eV:

 -8.5(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[[[5-(6-aminopurin-9-yl)-3-hydroxy-4-[[2-(methylamino)benzoyl]amino]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-dichloromethyl]phosphonic acid

Drug info:

PubChemData

Smile

CCSC1C(OC(C1SCC)N2C=C(N=N2)C3=CC=C(C=C3)OC)CO

DOS

IR

Vibrations