Geometry & MOs

Info

ID:	385059
PubChem CID:	134978229
Reduced:	NPO5C21H47 (1)
Stoich.:	ABC5D21E47 (1)
Weight, g/mol:	477.090563
ΔH_f, kcal/mol:	-328.25
Dipole, Da:	5.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751901
Charge, e:	-2

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-(6-amino-2-hexylsulfanylpurin-9-yl)-5-(dioxidophosphinothioyloxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CCCCCCCCOCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C

DOS

IR

Vibrations