Geometry & MOs

Info

ID:	13941
PubChem CID:	400307
Reduced:	ClFSO2N3H17C29 (1)
Stoich.:	ABCD2E3F17G29 (1)
Weight, g/mol:	525.071404
ΔH_f, kcal/mol:	46.1
Dipole, Da:	4.08
IP(EA), eV:	-9.13(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N2C5=NC6=CC(=C(C=C6S5)F)Cl

DOS

IR

Vibrations