Geometry & MOs

Info

ID:	258293
PubChem CID:	103152699
Reduced:	ON2C10H20 (1)
Stoich.:	AB2C10D20 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	0.03
Dipole, Da:	3.7
IP(EA), eV:	-9.01(1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(4-phenylsulfanylbutanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CCN(CCC(CN)OC)CC#C

DOS

IR

Vibrations