Geometry & MOs

Info

ID:	211721
PubChem CID:	81050888
Reduced:	FSCl3H8C12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	357.95939
ΔH_f, kcal/mol:	-33.04
Dipole, Da:	2.59
IP(EA), eV:	-9.32(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bromo-(2-chloro-4-fluoro-5-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)C(C2=C(C=CS2)Cl)Cl

DOS

IR

Vibrations