Geometry & MOs

Info

ID:	68335
PubChem CID:	46508210
Reduced:	F3O3N5C20H20 (1)
Stoich.:	A3B3C5D20E20 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-186.72
Dipole, Da:	10.18
IP(EA), eV:	-9.62(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(ethylsulfamoyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CC(=O)OCC(=O)N(C)CC3=CC=CC=C3

DOS

IR

Vibrations