Geometry & MOs

Info

ID:	338971
PubChem CID:	127259982
Reduced:	SN2O4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	313.171165
ΔH_f, kcal/mol:	-135.69
Dipole, Da:	4.26
IP(EA), eV:	-8.85(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(dimethylamino)-2-methylheptyl] benzenesulfonate

Drug info:

PubChemData

Smile

CN1CC(C[C@H]1C(=O)OS(=O)(=O)C2=CC=CC=C2)N(C)C

DOS

IR

Vibrations