Geometry & MOs

Info

ID:	10729
PubChem CID:	107473
Reduced:	NS2O4C21H39 (1)
Stoich.:	AB2C4D21E39 (1)
Weight, g/mol:	433.232051
ΔH_f, kcal/mol:	-199.9
Dipole, Da:	8.62
IP(EA), eV:	-8.89(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-3-octylsulfanylpropyl)-trimethylazanium;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCSCC(C[N+](C)(C)C)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

DOS

IR

Vibrations