Geometry & MOs

Info

ID:	437913
PubChem CID:	135227307
Reduced:	O2F3N3H12C16 (1)
Stoich.:	A2B3C3D12E16 (1)
Weight, g/mol:	315.114296
ΔH_f, kcal/mol:	-154.22
Dipole, Da:	1.84
IP(EA), eV:	-9.8(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(6-aminopurin-9-yl)-4,4-difluoro-5-(2-hydroxyethyl)cyclopentane-1,2-diol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C=C(N=CC2=N1)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations