Geometry & MOs

Info

ID:	124526
PubChem CID:	50887098
Reduced:	ClN2O5H19C23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	443.115107
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	9.96
IP(EA), eV:	-8.71(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-4-[(Z)-[3-methyl-5-oxo-1-(4-sulfamoylphenyl)pyrazol-4-ylidene]methyl]phenyl] acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C)OCC#C

DOS

IR

Vibrations