Geometry & MOs

Info

ID:	44653
PubChem CID:	10505141
Reduced:	SN3O5C25H33 (1)
Stoich.:	AB3C5D25E33 (1)
Weight, g/mol:	487.110605
ΔH_f, kcal/mol:	-157.82
Dipole, Da:	9.06
IP(EA), eV:	-8.58(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-[6-amino-1-[(2-methylphenyl)methoxy]purin-1-ium-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;perchlorate

Drug info:

PubChemData

Smile

CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=C(N4C(=C2)C(=O)OCC)C=CC(=C5)S(=O)(=O)NCCOC

DOS

IR

Vibrations