Geometry & MOs

Info

ID:	272728
PubChem CID:	103753510
Reduced:	BrFNO2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	350.97288
ΔH_f, kcal/mol:	-88.92
Dipole, Da:	2.99
IP(EA), eV:	-9.03(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1C(COC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)F)Br

DOS

IR

Vibrations