Geometry & MOs

Info

ID:	168861
PubChem CID:	75028714
Reduced:	ClO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	500.00152
ΔH_f, kcal/mol:	-81.01
Dipole, Da:	3.02
IP(EA), eV:	-9.06(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-5-[6-[(2-iodophenyl)sulfanylmethyl]purin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1CN(CCC1O)C(=O)C(CC2=CN=CC=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl

DOS

IR

Vibrations