Geometry & MOs

Info

ID:

180461

PubChem CID:

76637036

Reduced:

CoO2N3C28H33 (1)

Stoich.:

AB2C3D28E33 (1)

Weight, g/mol:

726.01555

ΔHf, kcal/mol:

-40.82

Dipole, Da:

12.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.600888

Charge, e:

 0

Chem-info

IUPAC name:

zinc;6-(3H-1,3-benzothiazol-2-ylidene)-4-trimethylsilylcyclohexa-2,4-diene-1-thione;2-(1,3-benzothiazol-2-yl)-4-trimethylsilylbenzenethiolate;sulfanide

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)C(=O)N.CC1(C2=C(C3=CC=CC=C3C=C2)N(C1=CC=N)C)C.[Co]

DOS

IR

Vibrations