Geometry & MOs

Info

ID:	186718
PubChem CID:	77472384
Reduced:	SO7C35H48 (1)
Stoich.:	AB7C35D48 (1)
Weight, g/mol:	596.353546
ΔH_f, kcal/mol:	-281.85
Dipole, Da:	4.08
IP(EA), eV:	-8.73(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1-benzothiophen-3-yl)phenyl]-3,4,5-tributoxy-6-(butoxymethyl)oxane

Drug info:

PubChemData

Smile

CCCCOCC1CC(C(C(O1)C2=C(C=CC(=C2)CC3=CC4=CC=CC=C4S3)OCC(=O)O)OCCCC)OCCCC

DOS

IR

Vibrations