Geometry & MOs

Info

ID:	323196
PubChem CID:	126673440
Reduced:	SO8C18H29 (2)
Stoich.:	AB8C18D29 (2)
Weight, g/mol:	368.352855
ΔH_f, kcal/mol:	-658.61
Dipole, Da:	8.46
IP(EA), eV:	-9.47(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(Z)-2-hydroxy-3-oxoicos-11-enyl]-trimethylazanium

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)O)C

DOS

IR

Vibrations