Geometry & MOs

Info

ID:	242736
PubChem CID:	99205913
Reduced:	SN5O5C24H27 (1)
Stoich.:	AB5C5D24E27 (1)
Weight, g/mol:	474.173705
ΔH_f, kcal/mol:	-123.71
Dipole, Da:	7.93
IP(EA), eV:	-8.49(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylsulfamoyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)NC(=O)N1)C2=C(C=CC(=C2)S(=O)(=O)N(C)CCCC3=CC(=NN3)C4=CC=CC=C4)OC

DOS

IR

Vibrations