Geometry & MOs

Info

ID:	373087
PubChem CID:	131309655
Reduced:	FSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	266.00548
ΔH_f, kcal/mol:	-79.37
Dipole, Da:	2.66
IP(EA), eV:	-8.8(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-1H-benzimidazol-2-yl)butan-2-one

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)C(=C(S2)F)C=O

DOS

IR

Vibrations