Geometry & MOs

Info

ID:	437933
PubChem CID:	135227328
Reduced:	N5C25H31 (1)
Stoich.:	A5B25C31 (1)
Weight, g/mol:	283.108068
ΔH_f, kcal/mol:	69.88
Dipole, Da:	4.16
IP(EA), eV:	-8.49(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S,5R)-3-(6-aminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)cyclopentane-1,2-diol

Drug info:

PubChemData

Smile

CC(C/C(=C/C(=NC)CCCC1=NC2=C(CCCN2)C=C1)/N)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations