Geometry & MOs

Info

ID:	25095
PubChem CID:	618951
Reduced:	BrSN2O2H9C11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	366.136828
ΔH_f, kcal/mol:	-15.23
Dipole, Da:	5.5
IP(EA), eV:	-9.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,5-diphenylpyrazol-3-yl)-3-phenylpropane-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=C2)Br

DOS

IR

Vibrations