Geometry & MOs

Info

ID:	140545
PubChem CID:	52717657
Reduced:	ClSN2O4C18H20 (1)
Stoich.:	ABC2D4E18F20 (1)
Weight, g/mol:	396.091056
ΔH_f, kcal/mol:	-105.69
Dipole, Da:	9.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.088726
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)N=C(C(C)(C)OC2=CC=C(C=C2)Cl)[O-]

DOS

IR

Vibrations