Geometry & MOs

Info

ID:	1013
PubChem CID:	3668
Reduced:	IO4N6C18H19 (1)
Stoich.:	AB4C6D18E19 (1)
Weight, g/mol:	510.05125
ΔH_f, kcal/mol:	-60.13
Dipole, Da:	3.64
IP(EA), eV:	-9.1(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC(=CC=C4)I)O)O

DOS

IR

Vibrations