Geometry & MOs

Info

ID:	140437
PubChem CID:	52697643
Reduced:	FSN2O3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	416.084708
ΔH_f, kcal/mol:	-93.85
Dipole, Da:	5.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.121273
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-1-(4-fluorophenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)[C@@H](CNS(=O)(=O)C1=CC=C(C2=CC=CC=C21)OC)C3=CC=C(C=C3)F

DOS

IR

Vibrations