Geometry & MOs

Info

ID:	446880
PubChem CID:	135278439
Reduced:	O7C20H32 (1)
Stoich.:	A7B20C32 (1)
Weight, g/mol:	690.16507
ΔH_f, kcal/mol:	-301.7
Dipole, Da:	5.61
IP(EA), eV:	-8.04(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-[4-[[2-(4-bromophenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]oxy]phenoxy]butoxy]propoxy]propan-1-ol

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCCOCCOCCOCC(=O)OC(C)(C)C

DOS

IR

Vibrations