Geometry & MOs

Info

ID:	154554
PubChem CID:	56314016
Reduced:	SF3N3O3C16H18 (1)
Stoich.:	AB3C3D3E16F18 (1)
Weight, g/mol:	418.128646
ΔH_f, kcal/mol:	-228.36
Dipole, Da:	6.63
IP(EA), eV:	-10.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yl-N-[4-(propylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCCS(=O)(=O)C2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations