Geometry & MOs

Info

ID:	213817
PubChem CID:	81065097
Reduced:	ClNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	315.069592
ΔH_f, kcal/mol:	-117.31
Dipole, Da:	3.86
IP(EA), eV:	-9.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations