Geometry & MOs

Info

ID:	380996
PubChem CID:	134971618
Reduced:	O2C6H9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	329.220223
ΔH_f, kcal/mol:	-189.23
Dipole, Da:	5.6
IP(EA), eV:	-10.15(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S,3S)-2-amino-3-hydroxy-2-(hydroxymethyl)-10-oxohexadec-6-enoic acid

Drug info:

PubChemData

Smile

CC(C)(CC(=O)C1CC=CC[C@@H]1C(=O)O)O

DOS

IR

Vibrations