Geometry & MOs

Info

ID:	436282
PubChem CID:	135197304
Reduced:	O3N4C7H12 (1)
Stoich.:	A3B4C7D12 (1)
Weight, g/mol:	617.132483
ΔH_f, kcal/mol:	-68.0
Dipole, Da:	5.55
IP(EA), eV:	-10.89(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3R)-4-(6-amino-2-chloropurin-9-yl)-4-fluoro-3-hydroxy-2-methoxybutoxy]-2-[[4-(4-carboxyphenyl)phenyl]methyl]propanedioic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(C1=NNN=N1)C(=O)O

DOS

IR

Vibrations