Geometry & MOs

Info

ID:	214712
PubChem CID:	85083456
Reduced:	ClN2O7C30H47 (1)
Stoich.:	AB2C7D30E47 (1)
Weight, g/mol:	582.958516
ΔH_f, kcal/mol:	-345.96
Dipole, Da:	4.93
IP(EA), eV:	-8.87(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-(2-sulfanylethylsulfanyl)phosphinothioyl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCOCC12C(C(C(O1)CN3CCOCC3)OC(=O)NC4=CC=C(C=C4)Cl)OC(O2)(C)C

DOS

IR

Vibrations