Geometry & MOs

Info

ID:	158687
PubChem CID:	56464706
Reduced:	SF3O3N4H11C16 (1)
Stoich.:	AB3C3D4E11F16 (1)
Weight, g/mol:	467.08751
ΔH_f, kcal/mol:	-153.35
Dipole, Da:	5.32
IP(EA), eV:	-9.27(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NS(=O)(=O)C2=C(C(=C(C=C2)F)F)F)N3C=CC(=N3)C(=O)N

DOS

IR

Vibrations