Geometry & MOs

Info

ID:	56657
PubChem CID:	17504732
Reduced:	FSN3O3C24H24 (1)
Stoich.:	ABC3D3E24F24 (1)
Weight, g/mol:	395.091532
ΔH_f, kcal/mol:	-88.29
Dipole, Da:	4.66
IP(EA), eV:	-8.97(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CCN(CC3)C(C4=CC=C(C=C4)F)C(=O)OC

DOS

IR

Vibrations