Geometry & MOs

Info

ID:	427308
PubChem CID:	135156811
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	699.210734
ΔH_f, kcal/mol:	-102.36
Dipole, Da:	2.59
IP(EA), eV:	-9.15(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy]-2-[[4-(2-ethoxycarbonylphenyl)phenyl]methyl]propanedioate

Drug info:

PubChemData

Smile

CC1(C(OC2=CC=CC=C21)C(=O)NC)OC

DOS

IR

Vibrations