Geometry & MOs

Info

ID:	249427
PubChem CID:	103089374
Reduced:	NSO3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	233.108565
ΔH_f, kcal/mol:	-125.29
Dipole, Da:	3.3
IP(EA), eV:	-8.85(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[acetyl(ethyl)amino]-5-methylsulfanylpentanoic acid

Drug info:

PubChemData

Smile

CC(=O)N(C1CC1)C(CCCSC)C(=O)O

DOS

IR

Vibrations