Geometry & MOs

Info

ID:	406571
PubChem CID:	135078091
Reduced:	O11H36C42 (1)
Stoich.:	A11B36C42 (1)
Weight, g/mol:	598.23891
ΔH_f, kcal/mol:	-326.13
Dipole, Da:	3.41
IP(EA), eV:	-9.62(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylphenyl)sulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2COC3C(C(C(C(O3)CO)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations