Geometry & MOs

Info

ID:	262439
PubChem CID:	103293026
Reduced:	ClFOSN2H12C15 (1)
Stoich.:	ABCDE2F12G15 (1)
Weight, g/mol:	338.00474
ΔH_f, kcal/mol:	-25.93
Dipole, Da:	4.65
IP(EA), eV:	-8.3(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CN2C3=C(C=CC(=C3)F)NC2=S

DOS

IR

Vibrations