Geometry & MOs

Info

ID:	427798
PubChem CID:	135163088
Reduced:	OSC10H18 (1)
Stoich.:	ABC10D18 (1)
Weight, g/mol:	564.178418
ΔH_f, kcal/mol:	-73.68
Dipole, Da:	2.45
IP(EA), eV:	-8.57(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[hydroxy-[4-(2-methylprop-2-enoyloxy)phenoxy]methyl]phenyl] 4-[4-(2-methylprop-2-enoyloxy)phenyl]benzoate

Drug info:

PubChemData

Smile

C1CCSCC2CC(CC2C1)O

DOS

IR

Vibrations