Geometry & MOs

Info

ID:	338974
PubChem CID:	127259985
Reduced:	NSO3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	313.171165
ΔH_f, kcal/mol:	-119.21
Dipole, Da:	5.23
IP(EA), eV:	-8.66(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)octyl benzenesulfonate

Drug info:

PubChemData

Smile

CCCC(CCCOS(=O)(=O)C1=CC=CC=C1)N(C)C

DOS

IR

Vibrations