Geometry & MOs

Info

ID:	179010
PubChem CID:	76419774
Reduced:	O7C12H18 (1)
Stoich.:	A7B12C18 (1)
Weight, g/mol:	549.88783
ΔH_f, kcal/mol:	-318.24
Dipole, Da:	5.05
IP(EA), eV:	-10.42(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;[[5-(8-bromo-6-oxo-5H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1C(C2C(O1)C(CO2)OC(=O)CCCCC(=O)O)O

DOS

IR

Vibrations