Geometry & MOs

Info

ID:	58559
PubChem CID:	24702311
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	342.93141
ΔH_f, kcal/mol:	-76.84
Dipole, Da:	2.96
IP(EA), eV:	-8.7(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-fluorobenzoyl)amino]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1O)C(=O)NC2=CC=CC(=C2)CN

DOS

IR

Vibrations