Geometry & MOs

Info

ID:	229829
PubChem CID:	87569299
Reduced:	SN3O3F6H17C26 (1)
Stoich.:	AB3C3D6E17F26 (1)
Weight, g/mol:	340.112664
ΔH_f, kcal/mol:	-288.04
Dipole, Da:	5.29
IP(EA), eV:	-9.64(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-4-methylsulfanylbutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(C3=CC=C(C4=CC=CC=C43)C5=NC(=O)ON5)OCC(F)(F)F

DOS

IR

Vibrations