Geometry & MOs

Info

ID:	396716
PubChem CID:	135029073
Reduced:	SN2O2H20C23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	404.119464
ΔH_f, kcal/mol:	20.67
Dipole, Da:	5.19
IP(EA), eV:	-8.86(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations