Geometry & MOs

Info

ID:	54436
PubChem CID:	17388676
Reduced:	NSO6C10H15 (1)
Stoich.:	ABC6D10E15 (1)
Weight, g/mol:	262.035649
ΔH_f, kcal/mol:	-245.83
Dipole, Da:	5.8
IP(EA), eV:	-10.36(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations