Geometry & MOs

Info

ID:	213552
PubChem CID:	81064106
Reduced:	NSCl2O3C13H15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	267.092915
ΔH_f, kcal/mol:	-136.02
Dipole, Da:	3.95
IP(EA), eV:	-8.98(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CSC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations