Geometry & MOs

Info

ID:	83959
PubChem CID:	49862871
Reduced:	ClFON2H14C17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	444.082759
ΔH_f, kcal/mol:	-23.71
Dipole, Da:	4.61
IP(EA), eV:	-8.97(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azanium;4-[5-[4-[nitroso(oxido)amino]phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)N1C(CC(=N1)C2=CC=CC=C2F)C3=CC=CC=C3Cl

DOS

IR

Vibrations