Geometry & MOs

Info

ID:	175425
PubChem CID:	75903548
Reduced:	SN2O4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	379.185552
ΔH_f, kcal/mol:	-118.0
Dipole, Da:	4.23
IP(EA), eV:	-8.6(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(4-tert-butylphenyl)sulfonylamino]-1-(4-fluorophenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(CNS(=O)(=O)C2=CC3=C(C=C2)OCC3)N4CCCCC4

DOS

IR

Vibrations