Geometry & MOs

Info

ID:

226093

PubChem CID:

87322655

Reduced:

NCl3F3O3H12C18 (1)

Stoich.:

AB3C3D3E12F18 (1)

Weight, g/mol:

170.051384

ΔHf, kcal/mol:

-215.2

Dipole, Da:

2.46

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.921203

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(1,3-thiazol-4-yl)propyl]formamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)C[N+]2(C3=CC(=C(C=C3C=C2Cl)Cl)Cl)CC(=O)O

DOS

IR

Vibrations