Geometry & MOs

Info

ID:	134177
PubChem CID:	51658243
Reduced:	FSN3O4H21C22 (1)
Stoich.:	ABC3D4E21F22 (1)
Weight, g/mol:	443.131506
ΔH_f, kcal/mol:	-86.83
Dipole, Da:	5.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765020
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3-fluorophenoxy)pyridin-3-yl]methyl]-3-(propylsulfonylamino)benzamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=NCC2=C(N=CC=C2)OC3=CC(=CC=C3)F)[O-]

DOS

IR

Vibrations