Geometry & MOs

Info

ID:	282406
PubChem CID:	103925785
Reduced:	NO5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	354.96556
ΔH_f, kcal/mol:	-187.38
Dipole, Da:	8.94
IP(EA), eV:	-9.85(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromo-4-fluorobenzoyl)amino]-4-fluorobenzoic acid

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

DOS

IR

Vibrations