Geometry & MOs

Info

ID:	144048
PubChem CID:	53304960
Reduced:	NOC27H41 (1)
Stoich.:	ABC27D41 (1)
Weight, g/mol:	309.073597
ΔH_f, kcal/mol:	-64.87
Dipole, Da:	7.67
IP(EA), eV:	-8.52(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CCCCCCCCCCCC/C=C/C1=CC(=O)C2=CC=CC=C2N1CCCC

DOS

IR

Vibrations