Geometry & MOs

Info

ID:	222919
PubChem CID:	85333164
Reduced:	O5N7C35H35 (1)
Stoich.:	A5B7C35D35 (1)
Weight, g/mol:	629.19442
ΔH_f, kcal/mol:	-60.39
Dipole, Da:	6.7
IP(EA), eV:	-8.74(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)-4-methylsulfonyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1C2C(C(=O)N(C(=O)N2)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4CN(C)C)N(N1)C5=CC=CC(=C5)C6=CN=CC=C6

DOS

IR

Vibrations