Geometry & MOs

Info

ID:	262438
PubChem CID:	103293005
Reduced:	ClSN2O3C14H21 (1)
Stoich.:	ABC2D3E14F21 (1)
Weight, g/mol:	322.03429
ΔH_f, kcal/mol:	-119.0
Dipole, Da:	6.01
IP(EA), eV:	-9.09(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-6-methoxyphenyl)methyl]-5-fluoro-1H-benzimidazole-2-thione

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNS(=O)(=O)CC2CCCNC2

DOS

IR

Vibrations