Geometry & MOs

Info

ID:	219533
PubChem CID:	85149136
Reduced:	ClSN2F3O5H18C26 (1)
Stoich.:	ABC2D3E5F18G26 (1)
Weight, g/mol:	563.216869
ΔH_f, kcal/mol:	-233.15
Dipole, Da:	7.48
IP(EA), eV:	-8.83(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-amino-6-phenylmethoxypurin-7-yl)-2-(benzoyloxymethyl)cyclobutyl]methyl benzoate

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C3=NOC4=C3C=CC(=C4)Cl)C=CC(=C2)OC(F)(F)F)SC5=CC=CC(=C5)OC(C)C(=O)O

DOS

IR

Vibrations