Geometry & MOs

Info

ID:	436172
PubChem CID:	135194308
Reduced:	ClFOSN4C17H22 (1)
Stoich.:	ABCDE4F17G22 (1)
Weight, g/mol:	638.197727
ΔH_f, kcal/mol:	-42.46
Dipole, Da:	4.33
IP(EA), eV:	-8.8(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-benzyl-2-[[(2R,3R,4S,5R)-5-(2-chloro-6-pentylsulfanylpurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy]propanedioate

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3SC4CCCC4)Cl)F)C

DOS

IR

Vibrations