Geometry & MOs

Info

ID:	424237
PubChem CID:	135121871
Reduced:	ClOSN3C14H16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	282.09642
ΔH_f, kcal/mol:	44.16
Dipole, Da:	7.14
IP(EA), eV:	-8.55(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1CC1(C(CC2=CC=CC=C2)(CN3C(=S)N=CN3)O)Cl

DOS

IR

Vibrations