Geometry & MOs

Info

ID:	143549
PubChem CID:	53225740
Reduced:	FSO3H7C12 (1)
Stoich.:	ABC3D7E12 (1)
Weight, g/mol:	275.014934
ΔH_f, kcal/mol:	-102.89
Dipole, Da:	4.69
IP(EA), eV:	-9.65(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-(3-cyano-2-fluorophenyl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)O)C2=CSC(=C2)C=O)F

DOS

IR

Vibrations