Geometry & MOs

Info

ID:	54444
PubChem CID:	17388686
Reduced:	NSO5C15H17 (1)
Stoich.:	ABC5D15E17 (1)
Weight, g/mol:	217.050571
ΔH_f, kcal/mol:	-174.39
Dipole, Da:	8.57
IP(EA), eV:	-9.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-hydroxy-3-phenylpropanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C(C(=O)O)N

DOS

IR

Vibrations