Geometry & MOs

Info

ID:	396782
PubChem CID:	135029213
Reduced:	BrF2O3H7C11 (1)
Stoich.:	AB2C3D7E11 (1)
Weight, g/mol:	381.9686
ΔH_f, kcal/mol:	-170.23
Dipole, Da:	0.48
IP(EA), eV:	-9.78(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-bromo-3,3-difluoro-2-(2-hydroxyethylsulfanyl)-1-benzofuran-2-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)/C=C\1/C(C2=C(O1)C=CC(=C2)Br)(F)F

DOS

IR

Vibrations