Geometry & MOs

Info

ID:	6360
PubChem CID:	68310
Reduced:	NO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-163.26
Dipole, Da:	4.42
IP(EA), eV:	-9.25(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations