Geometry & MOs

Info

ID:	9672
PubChem CID:	92176
Reduced:	NSO3C21H45 (1)
Stoich.:	ABC3D21E45 (1)
Weight, g/mol:	391.312015
ΔH_f, kcal/mol:	-192.09
Dipole, Da:	14.77
IP(EA), eV:	-9.52(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations