Geometry & MOs

Info

ID:	50788
PubChem CID:	12013376
Reduced:	NSO3C13H29 (1)
Stoich.:	ABC3D13E29 (1)
Weight, g/mol:	280.19464
ΔH_f, kcal/mol:	-154.26
Dipole, Da:	14.24
IP(EA), eV:	-9.37(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

heptyl-dimethyl-(4-sulfobutyl)azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations