Geometry & MOs

Info

ID:	141067
PubChem CID:	52812617
Reduced:	SF2N3O3H13C16 (1)
Stoich.:	AB2C3D3E13F16 (1)
Weight, g/mol:	314.141262
ΔH_f, kcal/mol:	-124.64
Dipole, Da:	6.29
IP(EA), eV:	-9.41(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-sulfamoylpyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CN(CC#N)C(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations