Geometry & MOs

Info

ID:	166908
PubChem CID:	74752801
Reduced:	SN4O4C26H35 (1)
Stoich.:	AB4C4D26E35 (1)
Weight, g/mol:	441.020449
ΔH_f, kcal/mol:	-71.39
Dipole, Da:	9.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.919462
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

DOS

IR

Vibrations