Geometry & MOs

Info

ID:	65238
PubChem CID:	29204654
Reduced:	SF3N3O5H12C16 (1)
Stoich.:	AB3C3D5E12F16 (1)
Weight, g/mol:	439.081362
ΔH_f, kcal/mol:	-246.22
Dipole, Da:	13.02
IP(EA), eV:	-9.0(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NS2(=O)=O)NOCC(=O)NC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations