Geometry & MOs

Info

ID:	172922
PubChem CID:	75573439
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	521.062
ΔH_f, kcal/mol:	-19.2
Dipole, Da:	6.58
IP(EA), eV:	-8.66(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NN=C2C(=NN(C2=O)C3=CC=CC=C3)C

DOS

IR

Vibrations