Geometry & MOs

Info

ID:	199310
PubChem CID:	79228712
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	267.1293
ΔH_f, kcal/mol:	-43.96
Dipole, Da:	6.04
IP(EA), eV:	-9.0(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(2-phenylsulfanylethylamino)pentanoic acid

Drug info:

PubChemData

Smile

C1CC1N(CCSC2=CC=CC=C2)CC(=O)O

DOS

IR

Vibrations