Geometry & MOs

Info

ID:	396720
PubChem CID:	135029081
Reduced:	SN2O2H22C24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	402.140199
ΔH_f, kcal/mol:	19.1
Dipole, Da:	4.41
IP(EA), eV:	-9.16(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)CCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations