Geometry & MOs

Info

ID:	372806
PubChem CID:	131305103
Reduced:	INSF3H5C9 (1)
Stoich.:	ABCD3E5F9 (1)
Weight, g/mol:	267.98474
ΔH_f, kcal/mol:	-105.6
Dipole, Da:	3.85
IP(EA), eV:	-8.65(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(bromomethyl)-1H-benzimidazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C(=CS2)I)C(F)(F)F)N

DOS

IR

Vibrations