Geometry & MOs

Info

ID:	338972
PubChem CID:	127259983
Reduced:	NSO3C16H27 (1)
Stoich.:	ABC3D16E27 (1)
Weight, g/mol:	257.108565
ΔH_f, kcal/mol:	-125.06
Dipole, Da:	4.57
IP(EA), eV:	-8.53(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)butyl benzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations