Geometry & MOs

Info

ID:	159146
PubChem CID:	57261284
Reduced:	ClNO4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-160.42
Dipole, Da:	2.8
IP(EA), eV:	-9.47(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(2-hexyl-4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

COC(=O)CCC(=O)C1=CC=C(C=C1)NC(=O)CCl

DOS

IR

Vibrations