Geometry & MOs

Info

ID:

219862

PubChem CID:

85164976

Reduced:

O5N6C34H36 (1)

Stoich.:

A5B6C34D36 (1)

Weight, g/mol:

606.929027

ΔHf, kcal/mol:

-119.07

Dipole, Da:

5.86

IP(EA), eV:

 -8.26(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

chloronickel;(5-imino-3-methyl-1-phenylpyrazol-4-ylidene)-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]sulfanylmethanethiolate

Drug info:

PubChemData

Smile

C1C=CC(N1C(=O)C(CC2=CC=C(C=C2)O)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=CC=C5)C(=O)N

DOS

IR

Vibrations