Geometry & MOs

Info

ID:	124524
PubChem CID:	50887096
Reduced:	SBr2N3O4H19C20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	555.92231
ΔH_f, kcal/mol:	-63.4
Dipole, Da:	11.96
IP(EA), eV:	-9.11(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C\C2=C(C(=CC(=C2)Br)Br)OC(C)C)C3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations