Geometry & MOs

Info

ID:	196885
PubChem CID:	78889515
Reduced:	BrClON4H12C16 (1)
Stoich.:	ABCD4E12F16 (1)
Weight, g/mol:	397.070797
ΔH_f, kcal/mol:	54.33
Dipole, Da:	5.5
IP(EA), eV:	-9.49(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-phenylpyrazol-3-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)C2=C(C=CC(=C2)Cl)Br)N3C=NC=N3

DOS

IR

Vibrations