Geometry & MOs

Info

ID:	262025
PubChem CID:	103266701
Reduced:	NSO3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	262.135114
ΔH_f, kcal/mol:	-111.5
Dipole, Da:	4.13
IP(EA), eV:	-8.62(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-3-(3-methylsulfanylbutylamino)propanoate

Drug info:

PubChemData

Smile

CC(CCNCC1=C(C=CO1)C(=O)O)SC

DOS

IR

Vibrations