Geometry & MOs

Info

ID:	338973
PubChem CID:	127259984
Reduced:	NSO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	299.155515
ΔH_f, kcal/mol:	-106.54
Dipole, Da:	5.44
IP(EA), eV:	-8.66(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)heptyl benzenesulfonate

Drug info:

PubChemData

Smile

CN(C)CCCCOS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations