Geometry & MOs

Info

ID:	213164
PubChem CID:	81063104
Reduced:	SO3N5C11H17 (1)
Stoich.:	AB3C5D11E17 (1)
Weight, g/mol:	299.099143
ΔH_f, kcal/mol:	-48.7
Dipole, Da:	4.42
IP(EA), eV:	-9.61(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CSC1=NN=NN1C2CC2

DOS

IR

Vibrations