Geometry & MOs

Info

ID:	288044
PubChem CID:	104310175
Reduced:	BrFN2O2H8C14 (1)
Stoich.:	ABC2D2E8F14 (1)
Weight, g/mol:	302.052527
ΔH_f, kcal/mol:	-51.33
Dipole, Da:	8.82
IP(EA), eV:	-9.6(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C2=NC3=C(N2)C=C(C(=C3)C(=O)O)F

DOS

IR

Vibrations