Geometry & MOs

Info

ID:	149491
PubChem CID:	53789164
Reduced:	ON2H12C16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	505.00069
ΔH_f, kcal/mol:	75.24
Dipole, Da:	3.55
IP(EA), eV:	-9.1(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-5-fluoro-3-iodopyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=CC=CC=C3NN=O

DOS

IR

Vibrations