Geometry & MOs

Info

ID:	398928
PubChem CID:	135036395
Reduced:	SN2O2H18C22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	312.093249
ΔH_f, kcal/mol:	48.18
Dipole, Da:	5.26
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-benzylidene-2-(4-methylphenyl)sulfonyl-3H-pyrazole

Drug info:

PubChemData

Smile

C1/C(=C\C2=CC=CC=C2)/C(=NN1S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations