Geometry & MOs

Info

ID:	47266
PubChem CID:	10531028
Reduced:	OH15C21 (2)
Stoich.:	AB15C21 (2)
Weight, g/mol:	566.248429
ΔH_f, kcal/mol:	88.96
Dipole, Da:	1.7
IP(EA), eV:	-8.57(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,16-bis[(2-methoxyphenyl)sulfanylmethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1C3=CC4=CC=CC=C4C=C3)C5=C(C(=CC6=CC=CC=C65)C7=CC8=CC=CC=C8C=C7)OC

DOS

IR

Vibrations