Geometry & MOs

Info

ID:	213759
PubChem CID:	81064900
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	315.069592
ΔH_f, kcal/mol:	-140.32
Dipole, Da:	3.92
IP(EA), eV:	-8.68(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations