Geometry & MOs

Info

ID:	249551
PubChem CID:	103090414
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	247.1606
ΔH_f, kcal/mol:	-72.46
Dipole, Da:	5.79
IP(EA), eV:	-8.71(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[tert-butyl(4-methylsulfanylbutyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CSCCCCN(CC(=O)O)C1=CC=CC=C1

DOS

IR

Vibrations