Geometry & MOs

Info

ID:	16961
PubChem CID:	481111
Reduced:	SN4O7C10H12 (1)
Stoich.:	AB4C7D10E12 (1)
Weight, g/mol:	332.04267
ΔH_f, kcal/mol:	-203.53
Dipole, Da:	11.85
IP(EA), eV:	-9.31(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4R)-2-(hydroxymethyl)-4-(6-oxo-3H-purin-9-yl)oxetan-3-yl]methyl hydrogen sulfate

Drug info:

PubChemData

Smile

C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@H](O3)CO)COS(=O)(=O)O

DOS

IR

Vibrations