Geometry & MOs

Info

ID:	79668
PubChem CID:	49829912
Reduced:	OSF3N4H15C20 (1)
Stoich.:	ABC3D4E15F20 (1)
Weight, g/mol:	418.216438
ΔH_f, kcal/mol:	-107.86
Dipole, Da:	3.77
IP(EA), eV:	-9.29(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-methyl-(1-phenylethyl)azanium

Drug info:

PubChemData

Smile

CC1=C(C(NC(=S)N1)C2=CC=CC(=C2)C#N)C(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations