Geometry & MOs

Info

ID:	50784
PubChem CID:	12013372
Reduced:	NSO3C12H27 (1)
Stoich.:	ABC3D12E27 (1)
Weight, g/mol:	266.17899
ΔH_f, kcal/mol:	-146.92
Dipole, Da:	13.97
IP(EA), eV:	-9.58(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

heptyl-dimethyl-(3-sulfopropyl)azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations