Geometry & MOs

Info

ID:	23886
PubChem CID:	607010
Reduced:	SCl2O2H12C17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	349.993506
ΔH_f, kcal/mol:	-45.6
Dipole, Da:	2.25
IP(EA), eV:	-8.73(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl) 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C=C(C=C2)Cl)CC(=O)OC3=CC=CC=C3Cl

DOS

IR

Vibrations