Geometry & MOs

Info

ID:	217064
PubChem CID:	85087193
Reduced:	ClPO4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	328.956451
ΔH_f, kcal/mol:	-207.87
Dipole, Da:	4.4
IP(EA), eV:	-9.54(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-methyl-3-[C-methyl-N-(methylsulfanylcarbothioylamino)carbonimidoyl]-2-oxopyran-4-olate;nickel

Drug info:

PubChemData

Smile

CC(=O)C(=CC1=CC(=CC=C1)Cl)P2(=O)OCC(CO2)(C)C

DOS

IR

Vibrations