Geometry & MOs

Info

ID:	213557
PubChem CID:	81064116
Reduced:	ClNO5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	315.069592
ΔH_f, kcal/mol:	-200.35
Dipole, Da:	6.13
IP(EA), eV:	-9.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC2=C(C(=C1)Cl)OCCO2

DOS

IR

Vibrations