Geometry & MOs

Info

ID:	139484
PubChem CID:	52540152
Reduced:	ClSN3O3C20H27 (1)
Stoich.:	ABC3D3E20F27 (1)
Weight, g/mol:	332.194972
ΔH_f, kcal/mol:	-66.32
Dipole, Da:	11.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.980978
Charge, e:	1

Chem-info

IUPAC name:

[2,2-dimethyl-3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]propyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](CCCNC(=O)CCNS(=O)(=O)C1=CC=CC=C1Cl)CC2=CC=CC=C2

DOS

IR

Vibrations