Geometry & MOs

Info

ID:	313375
PubChem CID:	126614143
Reduced:	PO6C39H75 (1)
Stoich.:	AB6C39D75 (1)
Weight, g/mol:	971.8166
ΔH_f, kcal/mol:	-423.87
Dipole, Da:	2.94
IP(EA), eV:	-9.51(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-hydroxy-3,5-diiodophenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-diiodophenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COP=O

DOS

IR

Vibrations