Geometry & MOs

Info

ID:	396722
PubChem CID:	135029085
Reduced:	ClSN2O2H17C22 (1)
Stoich.:	ABC2D2E17F22 (1)
Weight, g/mol:	452.01941
ΔH_f, kcal/mol:	20.46
Dipole, Da:	6.49
IP(EA), eV:	-9.04(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations