Geometry & MOs

Info

ID:	79732
PubChem CID:	49830180
Reduced:	ClSN3O3H17C20 (1)
Stoich.:	ABC3D3E17F20 (1)
Weight, g/mol:	415.07574
ΔH_f, kcal/mol:	-5.43
Dipole, Da:	3.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768856
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloropyridin-3-yl)sulfonylamino]-N-(1-phenylethyl)benzamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N=C(C2=CC=CC=C2NS(=O)(=O)C3=CN=C(C=C3)Cl)[O-]

DOS

IR

Vibrations