Geometry & MOs

Info

ID:	214029
PubChem CID:	81065857
Reduced:	SN2O4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	261.139865
ΔH_f, kcal/mol:	-185.33
Dipole, Da:	5.69
IP(EA), eV:	-9.05(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-butylsulfanylacetyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CN1C(=CSC1=O)C

DOS

IR

Vibrations