Geometry & MOs

Info

ID:	43093
PubChem CID:	10318445
Reduced:	ClS2N3O4C14H20 (1)
Stoich.:	AB2C3D4E14F20 (1)
Weight, g/mol:	393.02769
ΔH_f, kcal/mol:	47.4
Dipole, Da:	11.9
IP(EA), eV:	-9.76(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-bromophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=[N+](C(=C1)C(C)C)C2=NNC(=S)S2)C(C)C.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations