Geometry & MOs

Info

ID:	50782
PubChem CID:	12013370
Reduced:	NSO3C11H25 (1)
Stoich.:	ABC3D11E25 (1)
Weight, g/mol:	252.16334
ΔH_f, kcal/mol:	-141.7
Dipole, Da:	15.08
IP(EA), eV:	-9.45(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

hexyl-dimethyl-(3-sulfopropyl)azanium

Drug info:

PubChemData

Smile

CCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]

DOS

IR

Vibrations