Geometry & MOs

Info

ID:	84189
PubChem CID:	49864877
Reduced:	ClFN2O2C13H14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	513.202362
ΔH_f, kcal/mol:	-125.21
Dipole, Da:	1.76
IP(EA), eV:	-9.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-3-acetyloxy-4-fluoro-3,4-dimethyl-5-(6-morpholin-4-ylpurin-9-yl)oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CN1[C@@H](CCC1=O)C(=O)NCC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations