Geometry & MOs

Info

ID:

191693

PubChem CID:

78178291

Reduced:

O5N10C32H40 (1)

Stoich.:

A5B10C32D40 (1)

Weight, g/mol:

575.913054

ΔHf, kcal/mol:

-116.1

Dipole, Da:

8.73

IP(EA), eV:

 -8.52(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-amino-6-oxo-5H-purin-9-yl)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolane-3,4-diolate;manganese(2+)

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC3=CC=C(C=C3)C(=O)C(CC4=CN=CN4)N)N

DOS

IR

Vibrations