Geometry & MOs

Info

ID:	166991
PubChem CID:	74762060
Reduced:	ClSN3O4H14C21 (1)
Stoich.:	ABC3D4E14F21 (1)
Weight, g/mol:	411.9978
ΔH_f, kcal/mol:	28.39
Dipole, Da:	5.55
IP(EA), eV:	-9.25(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4E)-5-(4-bromophenyl)-1-(4-chlorophenyl)-2-imidazol-1-ylpenta-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=COC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations