Geometry & MOs

Info

ID:	57402
PubChem CID:	22395836
Reduced:	SCl2N2O6C20H20 (1)
Stoich.:	AB2C2D6E20F20 (1)
Weight, g/mol:	302.106671
ΔH_f, kcal/mol:	-214.13
Dipole, Da:	6.46
IP(EA), eV:	-9.54(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[2-[(2-fluorobenzoyl)amino]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CNC(C1O)C(=O)C2=CC=C(C=C2)CC(C(=O)O)NS(=O)(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations