Geometry & MOs

Info

ID:	267972
PubChem CID:	103592348
Reduced:	FSN2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	316.071548
ΔH_f, kcal/mol:	0.87
Dipole, Da:	4.57
IP(EA), eV:	-8.33(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-5-methyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-benzimidazole-2-thione

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1CN2C3=C(C=C(C(=C3)C)F)NC2=S

DOS

IR

Vibrations