Geometry & MOs

Info

ID:	120942
PubChem CID:	50751667
Reduced:	SN4O4C24H28 (1)
Stoich.:	AB4C4D24E28 (1)
Weight, g/mol:	414.136176
ΔH_f, kcal/mol:	-75.26
Dipole, Da:	9.0
IP(EA), eV:	-8.98(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)C2=CC(=NN2)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations