Geometry & MOs

Info

ID:

53540

PubChem CID:

14716536

Reduced:

SO3N4H34C38 (1)

Stoich.:

AB3C4D34E38 (1)

Weight, g/mol:

620.132679

ΔHf, kcal/mol:

114.94

Dipole, Da:

12.93

IP(EA), eV:

 -8.36(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-N-[methyl(phenyl)carbamothioyl]-C-phenylcarbonimidoyl]-[2-[(E)-N-[methyl(phenyl)carbamothioyl]-C-phenylcarbonimidoyl]azanidylethyl]azanide;nickel(2+)

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC\1(C2=C(N=CC=C2)N(/C1=C\C=C\3/C4=CC=CC=C4[N+](=C3C5=CN=CC=C5)C6=CC=CC=C6)C)C

DOS

IR

Vibrations