Geometry & MOs

Info

ID:	167664
PubChem CID:	74854910
Reduced:	BrSO2N3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	470.121275
ΔH_f, kcal/mol:	-5.8
Dipole, Da:	7.15
IP(EA), eV:	-8.91(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzylidene-3-(4-fluorophenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]imidazol-4-one

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=S)N(C2=O)CCCCCC(=O)NC3=CC=C(C=C3)Br)C=C1

DOS

IR

Vibrations