Geometry & MOs

Info

ID:	448850
PubChem CID:	135294039
Reduced:	NF2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	489.237604
ΔH_f, kcal/mol:	-107.68
Dipole, Da:	5.17
IP(EA), eV:	-9.85(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[6-[ethyl-[(2R)-1-(7-hydroxynaphthalen-1-yl)oxybutan-2-yl]amino]purin-9-yl]ethyl]oxolan-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=CC(=C(C=C3)C=O)F

DOS

IR

Vibrations