Geometry & MOs

Info

ID:	446874
PubChem CID:	135278389
Reduced:	NO5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	600.06061
ΔH_f, kcal/mol:	-162.41
Dipole, Da:	4.31
IP(EA), eV:	-8.44(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[2-(4-bromophenyl)-6-[(4-methoxyphenyl)methoxy]-1-benzothiophen-3-yl]oxy]phenoxy]cyclobutan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)OCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations