Geometry & MOs

Info

ID:	18417
PubChem CID:	540672
Reduced:	SO8C23H26 (1)
Stoich.:	AB8C23D26 (1)
Weight, g/mol:	462.134839
ΔH_f, kcal/mol:	-289.59
Dipole, Da:	3.51
IP(EA), eV:	-8.33(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-acetyloxy-3-methoxyphenyl)-3-acetylsulfanyl-2-(2-methoxyphenoxy)propyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(C(C1=CC(=C(C=C1)OC(=O)C)OC)SC(=O)C)OC2=CC=CC=C2OC

DOS

IR

Vibrations