Geometry & MOs

Info

ID:	160357
PubChem CID:	57309705
Reduced:	NO6C17H19 (1)
Stoich.:	AB6C17D19 (1)
Weight, g/mol:	343.124215
ΔH_f, kcal/mol:	-252.69
Dipole, Da:	5.34
IP(EA), eV:	-10.1(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-[(2-methylsulfanylbenzoyl)amino]ethyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C(C(=O)O)C(=O)O)C(=O)C1=CC2=C(CC(C2)NC(=O)C)C=C1

DOS

IR

Vibrations