Geometry & MOs

Info

ID:

53861

PubChem CID:

14718177

Reduced:

CoO2S2N4C32H34 (1)

Stoich.:

AB2C2D4E32F34 (1)

Weight, g/mol:

628.14766

ΔHf, kcal/mol:

68.53

Dipole, Da:

45.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.512231

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diethyl-N'-(naphthalene-2-carbonyl)carbamimidothioate;nickel(2+)

Drug info:

PubChemData

Smile

CCN(CC)C(=NC(=O)C1=CC2=CC=CC=C2C=C1)[S-].CCN(CC)C(=NC(=O)C1=CC2=CC=CC=C2C=C1)[S-].[Co+2]

DOS

IR

Vibrations