Geometry & MOs

Info

ID:	339553
PubChem CID:	127261543
Reduced:	SO4N5C18H29 (1)
Stoich.:	AB4C5D18E29 (1)
Weight, g/mol:	369.147075
ΔH_f, kcal/mol:	-146.24
Dipole, Da:	3.65
IP(EA), eV:	-8.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCSC1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N

DOS

IR

Vibrations