Geometry & MOs

Info

ID:	318474
PubChem CID:	126651468
Reduced:	FSN3O5C18H20 (1)
Stoich.:	ABC3D5E18F20 (1)
Weight, g/mol:	347.128821
ΔH_f, kcal/mol:	-210.45
Dipole, Da:	3.26
IP(EA), eV:	-8.41(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-(2-chloro-3-phenylmethoxypropyl)amino]acetic acid

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=CC(=CN2C1=O)C3=C(C=C(C=C3)N)F)(C(=O)O)S(=O)(=O)C

DOS

IR

Vibrations