Geometry & MOs

Info

ID:	213509
PubChem CID:	81063956
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	268.088164
ΔH_f, kcal/mol:	-114.37
Dipole, Da:	6.86
IP(EA), eV:	-9.97(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=NNC(=N1)C(C)(C)C

DOS

IR

Vibrations