Geometry & MOs

Info

ID:	77592
PubChem CID:	49658318
Reduced:	FSN3O4C14H16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-157.47
Dipole, Da:	5.5
IP(EA), eV:	-8.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-ethyl-3-[(4-ethylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1)S(=O)(=O)NC2=C(C=CC(=C2)C)F)C(=O)OC

DOS

IR

Vibrations