Geometry & MOs

Info

ID:	78539
PubChem CID:	49693526
Reduced:	ClSN3O3C13H14 (1)
Stoich.:	ABC3D3E13F14 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	-73.16
Dipole, Da:	2.38
IP(EA), eV:	-8.93(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-3-ethylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations