Geometry & MOs

Info

ID:	50783
PubChem CID:	12013371
Reduced:	NSO3C11H26 (1)
Stoich.:	ABC3D11E26 (1)
Weight, g/mol:	265.171165
ΔH_f, kcal/mol:	-135.85
Dipole, Da:	3.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750991
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations