Geometry & MOs

Info

ID:	261251
PubChem CID:	103224279
Reduced:	SO3C11H20 (1)
Stoich.:	AB3C11D20 (1)
Weight, g/mol:	245.052193
ΔH_f, kcal/mol:	-158.23
Dipole, Da:	6.94
IP(EA), eV:	-9.4(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-3-fluorophenyl)sulfanyl-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

CC1CCCC(C1)SC(COC)C(=O)O

DOS

IR

Vibrations