Geometry & MOs

Info

ID:	120944
PubChem CID:	50751688
Reduced:	SN4O4C19H20 (1)
Stoich.:	AB4C4D19E20 (1)
Weight, g/mol:	406.167477
ΔH_f, kcal/mol:	-83.54
Dipole, Da:	3.25
IP(EA), eV:	-8.74(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-methylcyclohexyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=NN2)C3=CC(=C(C=C3)OC)S(=O)(=O)N)C

DOS

IR

Vibrations