Geometry & MOs

Info

ID:	391193
PubChem CID:	135003500
Reduced:	FSCl2H4C8 (2)
Stoich.:	ABC2D4E8 (2)
Weight, g/mol:	319.120843
ΔH_f, kcal/mol:	-26.14
Dipole, Da:	0.65
IP(EA), eV:	-9.03(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(5-cyano-1-benzofuran-2-yl)-2,6-dimethylbenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1F)SC(=C(/C(=C(\SC2=CC=C(C=C2)F)/Cl)/Cl)Cl)Cl

DOS

IR

Vibrations