Geometry & MOs

Info

ID:	176590
PubChem CID:	76069604
Reduced:	FNO5C6H12 (1)
Stoich.:	ABC5D6E12 (1)
Weight, g/mol:	327.131802
ΔH_f, kcal/mol:	-274.07
Dipole, Da:	1.49
IP(EA), eV:	-10.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4,5,6-tetrahydroxy-2-oxohexyl) 2-amino-3-phenylpropanoate

Drug info:

PubChemData

Smile

C(C(C(C(=O)C(C(O)F)N)O)O)O

DOS

IR

Vibrations