Geometry & MOs

Info

ID:	45994
PubChem CID:	10520154
Reduced:	SN4O5C12H14 (1)
Stoich.:	AB4C5D12E14 (1)
Weight, g/mol:	326.170253
ΔH_f, kcal/mol:	-104.82
Dipole, Da:	9.74
IP(EA), eV:	-10.03(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5R)-5-[6-amino-2-(dimethylamino)-1-methoxy-2H-purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1(=O)=O)/C(=C\C3=CN(N=N3)C)/C2=O)C(=O)O)C

DOS

IR

Vibrations