Geometry & MOs

Info

ID:	50786
PubChem CID:	12013374
Reduced:	NSO3C12H27 (1)
Stoich.:	ABC3D12E27 (1)
Weight, g/mol:	266.17899
ΔH_f, kcal/mol:	-149.83
Dipole, Da:	14.06
IP(EA), eV:	-9.4(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

hexyl-dimethyl-(4-sulfobutyl)azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations