Geometry & MOs

Info

ID:	125390
PubChem CID:	50922199
Reduced:	S2Zn4O8C14H23 (1)
Stoich.:	A2B4C8D14E23 (1)
Weight, g/mol:	495.96386
ΔH_f, kcal/mol:	-291.0
Dipole, Da:	3.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753239
Charge, e:	-2

Chem-info

IUPAC name:

2,4,4a,5,6,7,8,8a-octahydro-1H-phthalazin-3-ide;dibromozinc;2,4-dihydro-1H-phthalazin-3-ide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(O)O)SSC2=CC=CC=C2C(O)O.[OH3+].O.O.O.[Zn].[Zn].[Zn].[Zn]

DOS

IR

Vibrations