Geometry & MOs

Info

ID:

325117

PubChem CID:

126680946

Reduced:

SO3N4C26H34 (2)

Stoich.:

AB3C4D26E34 (2)

Weight, g/mol:

774.356779

ΔHf, kcal/mol:

-207.96

Dipole, Da:

2.92

IP(EA), eV:

 -8.49(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)propan-2-yloxymethyl-N-[3-[4-[3-[[1-(2-amino-6-oxo-3H-purin-9-yl)propan-2-yloxymethyl-hydroxyphosphoryl]amino]propylamino]butylamino]propyl]phosphonamidic acid

Drug info:

PubChemData

Smile

COC(=O)NC(CCSC)C(=O)N1C2CCCCC2CC1C3=NC=C(N3)C4=C5CCC6=CC(=C(CCC(=C4)C=C5)C=C6)C7=CN=C(N7)C8CC9CCCCC9N8C(=O)C(CCSC)NC(=O)OC

DOS

IR

Vibrations