Geometry & MOs

Info

ID:	312817
PubChem CID:	126608888
Reduced:	SO5C22H28 (1)
Stoich.:	AB5C22D28 (1)
Weight, g/mol:	496.35526
ΔH_f, kcal/mol:	-192.96
Dipole, Da:	5.33
IP(EA), eV:	-9.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenoxy)ethyl 4-hexadecylbenzoate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](OC([C@H]1C)COCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations