Geometry & MOs

Info

ID:

226896

PubChem CID:

87558849

Reduced:

MnN2O2S2C4H8 (1)

Stoich.:

AB2C2D2E4F8 (1)

Weight, g/mol:

160.033586

ΔHf, kcal/mol:

-31.45

Dipole, Da:

3.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.952402

Charge, e:

 0

Chem-info

IUPAC name:

4,5-difluoro-3-methylbenzene-1,2-diol

Drug info:

PubChemData

Smile

C(CSC(=O)N)SC(=O)N.[Mn]

DOS

IR

Vibrations