Geometry & MOs

Info

ID:	124523
PubChem CID:	50887095
Reduced:	BrClN2O5H20C26 (1)
Stoich.:	ABC2D5E20F26 (1)
Weight, g/mol:	556.94425
ΔH_f, kcal/mol:	-77.65
Dipole, Da:	7.81
IP(EA), eV:	-8.98(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4Z)-4-[(3,5-dibromo-2-propan-2-yloxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)C4=CC(=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations