Geometry & MOs

Info

ID:	396717
PubChem CID:	135029074
Reduced:	SN2O3H20C23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	408.069927
ΔH_f, kcal/mol:	-10.47
Dipole, Da:	6.13
IP(EA), eV:	-8.51(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations