Geometry & MOs

Info

ID:	61879
PubChem CID:	26715369
Reduced:	ClN2S2O3H21C22 (1)
Stoich.:	AB2C2D3E21F22 (1)
Weight, g/mol:	414.136176
ΔH_f, kcal/mol:	-58.87
Dipole, Da:	7.47
IP(EA), eV:	-9.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(methylsulfamoyl)phenyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CS[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations