Geometry & MOs

Info

ID:	85656
PubChem CID:	49877884
Reduced:	ClFON2H24C27 (1)
Stoich.:	ABCD2E24F27 (1)
Weight, g/mol:	416.17002
ΔH_f, kcal/mol:	-8.94
Dipole, Da:	3.08
IP(EA), eV:	-9.02(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-(4-butylphenyl)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]imidazol-4-one

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)F)/C(=O)N2C4=C(C=C(C=C4)Cl)C

DOS

IR

Vibrations