Geometry & MOs

Info

ID:	180449
PubChem CID:	76634419
Reduced:	OSN3H5C6 (1)
Stoich.:	ABC3D5E6 (1)
Weight, g/mol:	505.358966
ΔH_f, kcal/mol:	59.47
Dipole, Da:	6.12
IP(EA), eV:	-8.85(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-2-(icosanoylamino)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=O)C2=NSN(C2=C1)N

DOS

IR

Vibrations