Geometry & MOs

Info

ID:

65237

PubChem CID:

29204653

Reduced:

SF3N3O5H11C16 (1)

Stoich.:

AB3C3D5E11F16 (1)

Weight, g/mol:

415.044976

ΔHf, kcal/mol:

-219.67

Dipole, Da:

9.0

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.909579

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NOCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)[N-]S2(=O)=O

DOS

IR

Vibrations