Geometry & MOs

Info

ID:	261744
PubChem CID:	103248961
Reduced:	FNSO4C14H16 (1)
Stoich.:	ABCD4E14F16 (1)
Weight, g/mol:	207.110673
ΔH_f, kcal/mol:	-182.65
Dipole, Da:	4.87
IP(EA), eV:	-9.06(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-[2-(2-hydroxyethoxy)ethylamino]butanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=C2CNCCOCCO)C(=O)O)F

DOS

IR

Vibrations