Geometry & MOs

Info

ID:	55588
PubChem CID:	17395605
Reduced:	ClN3O4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	446.141262
ΔH_f, kcal/mol:	-122.37
Dipole, Da:	5.86
IP(EA), eV:	-8.28(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-3-(methylsulfamoyl)phenyl]-2,5-diphenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)Cl)N4CCCC4=O

DOS

IR

Vibrations