Geometry & MOs

Info

ID:	50781
PubChem CID:	12013369
Reduced:	SN2O4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	251.155515
ΔH_f, kcal/mol:	-159.7
Dipole, Da:	4.97
IP(EA), eV:	-8.72(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C23CCCCC2SCC(=O)N3CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations