Geometry & MOs

Info

ID:	16679
PubChem CID:	474652
Reduced:	ClFOSN2H14C22 (1)
Stoich.:	ABCDE2F14G22 (1)
Weight, g/mol:	408.04994
ΔH_f, kcal/mol:	19.7
Dipole, Da:	1.01
IP(EA), eV:	-9.23(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chloro-6-fluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-7-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)F)C=C(C=C3)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations