Geometry & MOs

Info

ID:	427304
PubChem CID:	135156799
Reduced:	O3H14C17 (1)
Stoich.:	A3B14C17 (1)
Weight, g/mol:	644.143382
ΔH_f, kcal/mol:	-4.64
Dipole, Da:	2.58
IP(EA), eV:	-9.13(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy]-2-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]propanedioic acid

Drug info:

PubChemData

Smile

C#CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)C=O)O

DOS

IR

Vibrations