Geometry & MOs

Info

ID:	338301
PubChem CID:	127258993
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	468.977654
ΔH_f, kcal/mol:	-78.62
Dipole, Da:	3.66
IP(EA), eV:	-9.36(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;[[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-oxidophosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

CCCC(COC(=O)C1=CC=CC=C1)N

DOS

IR

Vibrations