Geometry & MOs

Info

ID:

220020

PubChem CID:

85165152

Reduced:

NO7C39H39 (1)

Stoich.:

AB7C39D39 (1)

Weight, g/mol:

631.97842

ΔHf, kcal/mol:

-190.3

Dipole, Da:

3.58

IP(EA), eV:

 -9.06(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

chloronickel;(5-imino-3-methyl-1-phenylpyrazol-4-ylidene)-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]diazenyl]sulfanylmethanethiolate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)OCCC(C4=CC=CC=C4)C5=CC=CC=C5)CC=O

DOS

IR

Vibrations