Geometry & MOs

Info

ID:	213210
PubChem CID:	81063174
Reduced:	NO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-167.33
Dipole, Da:	4.69
IP(EA), eV:	-9.4(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCC1=CC=CO1

DOS

IR

Vibrations