Geometry & MOs

Info

ID:	336875
PubChem CID:	127255882
Reduced:	SCl3F3O3H12C19 (1)
Stoich.:	AB3C3D3E12F19 (1)
Weight, g/mol:	268.92545
ΔH_f, kcal/mol:	-241.17
Dipole, Da:	5.63
IP(EA), eV:	-9.42(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-bromo-5-fluorobenzoic acid;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=C2CCCC2=C(S1)C(=O)/C=C(\C3=CC(=C(C(=C3)Cl)Cl)Cl)/C(F)(F)F

DOS

IR

Vibrations