Geometry & MOs

Info

ID:	396721
PubChem CID:	135029084
Reduced:	SN2O2H22C24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	408.069927
ΔH_f, kcal/mol:	16.49
Dipole, Da:	3.73
IP(EA), eV:	-8.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CC(=NN2S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

DOS

IR

Vibrations