Geometry & MOs

Info

ID:

54769

PubChem CID:

17389237

Reduced:

SN3H12C14 (1)

Stoich.:

AB3C12D14 (1)

Weight, g/mol:

395.97435

ΔHf, kcal/mol:

105.72

Dipole, Da:

6.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.234576

Charge, e:

 0

Chem-info

IUPAC name:

N,4-bis(4-fluorophenyl)-1,3-thiazole-2-carboxamide;hydrobromide

Drug info:

PubChemData

Smile

C[N+]1=CC=C(C=C1)C2=NN=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations