Geometry & MOs

Info

ID:	213096
PubChem CID:	81062836
Reduced:	SN3O3C8H11 (1)
Stoich.:	AB3C3D8E11 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-80.7
Dipole, Da:	3.31
IP(EA), eV:	-10.37(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CN=NS1

DOS

IR

Vibrations