Geometry & MOs

Info

ID:	185636
PubChem CID:	77323959
Reduced:	NSO5C29H49 (1)
Stoich.:	ABC5D29E49 (1)
Weight, g/mol:	208.039654
ΔH_f, kcal/mol:	-273.44
Dipole, Da:	4.92
IP(EA), eV:	-8.85(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-fluoroprop-2-enyl)purine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3=C2OC(=O)C4C3(CCC(C4)OCCNS(=O)(=O)C)C)C

DOS

IR

Vibrations