Geometry & MOs

Info

ID:	85651
PubChem CID:	49877879
Reduced:	ISN2O3H17C22 (1)
Stoich.:	ABC2D3E17F22 (1)
Weight, g/mol:	468.00403
ΔH_f, kcal/mol:	51.08
Dipole, Da:	3.9
IP(EA), eV:	-8.67(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-(4-bromophenyl)-3-(3-chloro-2-methylphenyl)-5-[(2-fluorophenyl)methylidene]imidazol-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N3C(=O)/C(=C\C4=CC(=C(C(=C4)I)OCC#C)OC)/SC3=N2

DOS

IR

Vibrations