Geometry & MOs

Info

ID:	60233
PubChem CID:	26675960
Reduced:	SN2F3O5H17C22 (1)
Stoich.:	AB2C3D5E17F22 (1)
Weight, g/mol:	435.154269
ΔH_f, kcal/mol:	-202.1
Dipole, Da:	4.03
IP(EA), eV:	-9.0(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-7-(furan-2-ylmethyl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]purine-2,6-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N(CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations