Geometry & MOs

Info

ID:	180708
PubChem CID:	76672406
Reduced:	FNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	403.104732
ΔH_f, kcal/mol:	-81.24
Dipole, Da:	6.55
IP(EA), eV:	-10.25(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-amino-2-chloropurin-9-yl)-2-ethyl-4-hydroxyoxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

C1CC2CCC(CC2C1)CCC3C=CC(=O)N=C3F

DOS

IR

Vibrations