Geometry & MOs

Info

ID:	67752
PubChem CID:	46507098
Reduced:	SF3N4O4H17C19 (1)
Stoich.:	AB3C4D4E17F19 (1)
Weight, g/mol:	478.131091
ΔH_f, kcal/mol:	-229.14
Dipole, Da:	6.82
IP(EA), eV:	-9.16(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-ethoxyphenyl)sulfamoyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=NN2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations