Geometry & MOs

Info

ID:

191293

PubChem CID:

78126213

Reduced:

CoSO2N3C13H13 (1)

Stoich.:

ABC2D3E13F13 (1)

Weight, g/mol:

330.010891

ΔHf, kcal/mol:

44.26

Dipole, Da:

26.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.969627

Charge, e:

 2

Chem-info

IUPAC name:

N-hydroxy-N'-(6-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimidamide;manganese(2+)

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1CCC3=C2N=C(S3)N=CNO.[Co+2]

DOS

IR

Vibrations