Geometry & MOs

Info

ID:

383648

PubChem CID:

134975498

Reduced:

SF3O3H6C11 (1)

Stoich.:

AB3C3D6E11 (1)

Weight, g/mol:

222.134442

ΔHf, kcal/mol:

-220.57

Dipole, Da:

2.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.104367

Charge, e:

 0

Chem-info

IUPAC name:

lithium;N-tert-butyl-2H-indol-2-ide-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=[O+]C(=O)/C(=C(/C(F)(F)F)\O)/S2

DOS

IR

Vibrations