Geometry & MOs

Info

ID:	32330
PubChem CID:	6436540
Reduced:	NO2C21H21 (1)
Stoich.:	AB2C21D21 (1)
Weight, g/mol:	410.350843
ΔH_f, kcal/mol:	5.04
Dipole, Da:	2.6
IP(EA), eV:	-8.69(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-6-[[(Z)-octadec-9-enoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CN(C)CC/C=C\1/C2=CC=CC=C2OCC3=C1OC4=CC=CC=C34

DOS

IR

Vibrations