Geometry & MOs

Info

ID:	140543
PubChem CID:	52717569
Reduced:	FSN3O3C25H29 (1)
Stoich.:	ABC3D3E25F29 (1)
Weight, g/mol:	410.106706
ΔH_f, kcal/mol:	-76.02
Dipole, Da:	16.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.218177
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3-methylphenoxy)-N-[4-(ethylsulfonylamino)phenyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)C(=O)NC3CC[NH+](CC3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations