Geometry & MOs

Info

ID:	436160
PubChem CID:	135194245
Reduced:	O7C17H22 (1)
Stoich.:	A7B17C22 (1)
Weight, g/mol:	521.147739
ΔH_f, kcal/mol:	-307.39
Dipole, Da:	3.01
IP(EA), eV:	-9.87(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(2R,3S,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxy]-2-benzyl-3-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(CC1=CC=C(C=C1)CCC(=O)O)(C(=O)O)C(=O)O

DOS

IR

Vibrations