Geometry & MOs

Info

ID:	226281
PubChem CID:	87350324
Reduced:	PSZnO3C24H53 (1)
Stoich.:	ABCD3E24F53 (1)
Weight, g/mol:	668.060545
ΔH_f, kcal/mol:	-269.26
Dipole, Da:	3.79
IP(EA), eV:	-8.36(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Drug info:

PubChemData

Smile

CCCCCCCCCCCCS(=P(O)(O)O)CCCCCCCCCCCC.[Zn]

DOS

IR

Vibrations