Geometry & MOs

Info

ID:	179155
PubChem CID:	76443109
Reduced:	O5C24H40 (1)
Stoich.:	A5B24C40 (1)
Weight, g/mol:	452.055733
ΔH_f, kcal/mol:	-261.22
Dipole, Da:	5.32
IP(EA), eV:	-9.91(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[8-(4-chlorophenyl)sulfanyl-6-oxo-5H-purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CCCCCCC(CC=CC1C(C(CC1=O)O)CCCCCCC(=O)O)(C=C)O

DOS

IR

Vibrations