Geometry & MOs

Info

ID:	20849
PubChem CID:	586127
Reduced:	SN5O5C18H25 (1)
Stoich.:	AB5C5D18E25 (1)
Weight, g/mol:	423.15764
ΔH_f, kcal/mol:	-175.47
Dipole, Da:	2.47
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetyloxy-5-[(6-aminopurin-9-yl)-(2-methylpropylsulfanyl)methyl]oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)CSC(C1C(C(CO1)OC(=O)C)OC(=O)C)N2C=NC3=C(N=CN=C32)N

DOS

IR

Vibrations