Geometry & MOs

Info

ID:	9195
PubChem CID:	87133
Reduced:	FNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	225.080121
ΔH_f, kcal/mol:	-168.23
Dipole, Da:	4.91
IP(EA), eV:	-9.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-(4-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CC1=CC=C(C=C1)F)C(=O)O

DOS

IR

Vibrations