Geometry & MOs

Info

ID:	398927
PubChem CID:	135036391
Reduced:	BrSN2O2H21C24 (1)
Stoich.:	ABC2D2E21F24 (1)
Weight, g/mol:	374.108899
ΔH_f, kcal/mol:	28.7
Dipole, Da:	3.92
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-(benzenesulfonyl)-4-benzylidene-5-phenyl-3H-pyrazole

Drug info:

PubChemData

Smile

CC1/C(=C\C2=CC=CC=C2)/C(=NN1S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Br

DOS

IR

Vibrations