Geometry & MOs

Info

ID:	228639
PubChem CID:	87565461
Reduced:	ClNO4C10H12 (1)
Stoich.:	ABC4D10E12 (1)
Weight, g/mol:	266.100168
ΔH_f, kcal/mol:	-151.21
Dipole, Da:	5.48
IP(EA), eV:	-9.83(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] 2-hydroxybutanoate

Drug info:

PubChemData

Smile

CCCOC1=C(C(=NC(=C1)C)Cl)OC(=O)O

DOS

IR

Vibrations