Geometry & MOs

Info

ID:	21538
PubChem CID:	588871
Reduced:	ClFSN3H11C17 (1)
Stoich.:	ABCD3E11F17 (1)
Weight, g/mol:	343.034624
ΔH_f, kcal/mol:	59.91
Dipole, Da:	3.37
IP(EA), eV:	-9.12(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2CC3=C(C=C(C=C3)F)Cl)C4=CN=CS4

DOS

IR

Vibrations