Geometry & MOs

Info

ID:	65130
PubChem CID:	29204508
Reduced:	S2N4O5C22H26 (1)
Stoich.:	A2B4C5D22E26 (1)
Weight, g/mol:	444.16314
ΔH_f, kcal/mol:	-133.32
Dipole, Da:	10.44
IP(EA), eV:	-8.98(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylsulfamoyl)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)[C@@H]2CCCN2C3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations