Geometry & MOs

Info

ID:	181775
PubChem CID:	76791145
Reduced:	Cl4N5O7C19H21 (1)
Stoich.:	A4B5C7D19E21 (1)
Weight, g/mol:	405.201219
ΔH_f, kcal/mol:	-259.93
Dipole, Da:	5.59
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl butanoate

Drug info:

PubChemData

Smile

C1CC(C(C1)OC(=O)C(Cl)Cl)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COC(=O)C(Cl)Cl)O)O

DOS

IR

Vibrations