Geometry & MOs

Info

ID:

191688

PubChem CID:

78178286

Reduced:

O12N13C49H69 (1)

Stoich.:

A12B13C49D69 (1)

Weight, g/mol:

1101.91927

ΔHf, kcal/mol:

-496.37

Dipole, Da:

6.54

IP(EA), eV:

 -8.92(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tetrasodium;2-(6-aminopurin-9-yl)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolane-3,4-diolate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)CC(C(=O)O)N

DOS

IR

Vibrations