Geometry & MOs

Info

ID:	163997
PubChem CID:	74381318
Reduced:	FSN2Cl3O6C16H22 (1)
Stoich.:	ABC2D3E6F16G22 (1)
Weight, g/mol:	485.108002
ΔH_f, kcal/mol:	-334.64
Dipole, Da:	5.24
IP(EA), eV:	-9.7(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[2-[(2,2-dichloroacetyl)amino]-3-fluoro-1-(4-methylsulfonylphenyl)propoxy]-4-oxobutyl]-trimethylazanium

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C(C(CF)NC(=O)C(Cl)Cl)OC(=O)COCCN.Cl

DOS

IR

Vibrations