Geometry & MOs

Info

ID:	213824
PubChem CID:	81065149
Reduced:	INO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	205.077265
ΔH_f, kcal/mol:	-101.56
Dipole, Da:	5.69
IP(EA), eV:	-9.79(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=CC=C1I

DOS

IR

Vibrations