Geometry & MOs

Info

ID:	140547
PubChem CID:	52717659
Reduced:	ClSN2O4H20C22 (1)
Stoich.:	ABC2D4E20F22 (1)
Weight, g/mol:	444.091056
ΔH_f, kcal/mol:	-68.7
Dipole, Da:	1.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.106171
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]benzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)N=C(C2=CC=CC=C2OCC3=CC=C(C=C3)Cl)[O-]

DOS

IR

Vibrations