Geometry & MOs

Info

ID:	21579
PubChem CID:	589049
Reduced:	BrSN2O2H13C15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	363.98811
ΔH_f, kcal/mol:	-6.25
Dipole, Da:	3.25
IP(EA), eV:	-9.2(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-bromophenyl)sulfonylethyl]-1H-benzimidazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)CCS(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations