Geometry & MOs

Info

ID:	54443
PubChem CID:	17388685
Reduced:	ClNaN2O5H14C17 (1)
Stoich.:	ABC2D5E14F17 (1)
Weight, g/mol:	323.082744
ΔH_f, kcal/mol:	-154.78
Dipole, Da:	7.23
IP(EA), eV:	-9.44(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-phenylacetic acid;4-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)[O-])NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])Cl.[Na+]

DOS

IR

Vibrations