Geometry & MOs

Info

ID:	61255
PubChem CID:	26707476
Reduced:	FSO3N4C24H34 (1)
Stoich.:	ABC3D4E24F34 (1)
Weight, g/mol:	497.178943
ΔH_f, kcal/mol:	-112.1
Dipole, Da:	8.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752223
Charge, e:	1

Chem-info

IUPAC name:

4-chloro-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)NC(=O)C3=CC(=C(C=C3)C)F

DOS

IR

Vibrations