Geometry & MOs

Info

ID:	185762
PubChem CID:	77344626
Reduced:	O2F3C38H47 (1)
Stoich.:	A2B3C38D47 (1)
Weight, g/mol:	328.084141
ΔH_f, kcal/mol:	-217.72
Dipole, Da:	2.48
IP(EA), eV:	-9.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylbutanoyl)-7-methylsulfonyl-5H-purine-2,6-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCC1COC(OC1)C2=CC(=C(C=C2)C3=CC=C(C=C3)C4=C(C(=C(C=C4)CC=CCCC)F)F)F

DOS

IR

Vibrations