Geometry & MOs

Info

ID:	396719
PubChem CID:	135029078
Reduced:	FSN2O2H17C22 (1)
Stoich.:	ABC2D2E17F22 (1)
Weight, g/mol:	402.140199
ΔH_f, kcal/mol:	-16.01
Dipole, Da:	5.85
IP(EA), eV:	-9.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-5-phenyl-3-(2-phenylethyl)pyrazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)C3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations