Geometry & MOs

Info

ID:	258262
PubChem CID:	103152391
Reduced:	N2O2C11H24 (1)
Stoich.:	A2B2C11D24 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-105.87
Dipole, Da:	3.77
IP(EA), eV:	-8.99(2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CCNCC1CCCCO1)CN

DOS

IR

Vibrations