Geometry & MOs

Info

ID:	446881
PubChem CID:	135278443
Reduced:	BrSO6C37H39 (1)
Stoich.:	ABC6D37E39 (1)
Weight, g/mol:	542.07626
ΔH_f, kcal/mol:	-143.97
Dipole, Da:	6.25
IP(EA), eV:	-8.33(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-3-[4-(2,2-diethoxyethoxy)phenoxy]-6-methoxy-1-benzothiophene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=C(S3)C4=CC=C(C=C4)Br)OC5=CC=C(C=C5)OCCCCOCCCOCCCO

DOS

IR

Vibrations