Geometry & MOs

Info

ID:	61125
PubChem CID:	26705869
Reduced:	BrFNOCl2H7C13 (1)
Stoich.:	ABCDE2F7G13 (1)
Weight, g/mol:	384.9272
ΔH_f, kcal/mol:	-52.7
Dipole, Da:	3.45
IP(EA), eV:	-9.22(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-bromo-2-chlorophenyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C(=O)NC2=C(C=C(C=C2)Br)Cl)F

DOS

IR

Vibrations