Geometry & MOs

Info

ID:	13182
PubChem CID:	222626
Reduced:	PSN5O6C14H22 (1)
Stoich.:	ABC5D6E14F22 (1)
Weight, g/mol:	419.102842
ΔH_f, kcal/mol:	-277.61
Dipole, Da:	5.8
IP(EA), eV:	-9.36(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-5-(diethoxyphosphinothioyloxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CCOP(=S)(OCC)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O

DOS

IR

Vibrations