Geometry & MOs

Info

ID:	190706
PubChem CID:	78044606
Reduced:	PSN2F3O8C27H40 (1)
Stoich.:	ABC2D3E8F27G40 (1)
Weight, g/mol:	391.129197
ΔH_f, kcal/mol:	-546.29
Dipole, Da:	8.61
IP(EA), eV:	-9.3(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(3-fluorophenyl)methylamino]purin-9-yl]oxy-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CCCCC1(CS(C2=C(C=C(C(=C2)CNCCP(=O)(O)O)OC)C(N1)C3=CC=CC=C3)(O)O)CC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations