Geometry & MOs

Info

ID:	249553
PubChem CID:	103090423
Reduced:	NSO2C10H19 (1)
Stoich.:	ABC2D10E19 (1)
Weight, g/mol:	205.11365
ΔH_f, kcal/mol:	-78.31
Dipole, Da:	2.05
IP(EA), eV:	-8.52(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(4-methylsulfanylbutyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CSCCCCN(CC(=O)O)C1CC1

DOS

IR

Vibrations