Geometry & MOs

Info

ID:

434481

PubChem CID:

135175028

Reduced:

PO4N5C11H16 (1)

Stoich.:

AB4C5D11E16 (1)

Weight, g/mol:

756.08746

ΔHf, kcal/mol:

-156.21

Dipole, Da:

1.04

IP(EA), eV:

 -9.3(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[5-[[[(2R,3R)-5-(6-aminopurin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)-2-(hydroxymethyl)oxolan-3-yl]methoxy-hydroxyphosphinothioyl]oxymethyl]-4,4-difluorooxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CP(=O)(O)OCC1CCC(O1)C2=CN=C3N2N=CN=C3N

DOS

IR

Vibrations