Geometry & MOs

Info

ID:	314529
PubChem CID:	126622060
Reduced:	BrSN2O4C30H39 (1)
Stoich.:	ABC2D4E30F39 (1)
Weight, g/mol:	523.263054
ΔH_f, kcal/mol:	-57.29
Dipole, Da:	53.27
IP(EA), eV:	-4.92(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(4-benzoylphenoxy)propyl-dimethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC[N+](C)(C)CCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C.[Br-]

DOS

IR

Vibrations