Geometry & MOs

Info

ID:	224681
PubChem CID:	85345891
Reduced:	ClF2O4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	341.115775
ΔH_f, kcal/mol:	-252.38
Dipole, Da:	4.82
IP(EA), eV:	-9.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[3,4-dihydroxy-5-(propylsulfanylmethyl)oxolan-2-yl]-5H-purin-6-one

Drug info:

PubChemData

Smile

CCOC(=CC(=O)OCC)C(C(C1=CC=C(C=C1)Cl)O)(F)F

DOS

IR

Vibrations