Geometry & MOs

Info

ID:	259457
PubChem CID:	103165964
Reduced:	OSCl2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	327.96881
ΔH_f, kcal/mol:	-45.97
Dipole, Da:	2.51
IP(EA), eV:	-9.3(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-3-(1-chloro-2-cyclobutylethyl)-1-benzothiophene

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(C2=C(C=CS2)Cl)Cl

DOS

IR

Vibrations