Geometry & MOs

Info

ID:

191292

PubChem CID:

78126212

Reduced:

MnSO2N3C13H13 (1)

Stoich.:

ABC2D3E13F13 (1)

Weight, g/mol:

334.006042

ΔHf, kcal/mol:

82.7

Dipole, Da:

1.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.207894

Charge, e:

 2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(CCC3=C2N=C(S3)N=CNO)C=C1.[Mn+2]

DOS

IR

Vibrations