Geometry & MOs

Info

ID:	140476
PubChem CID:	52705583
Reduced:	FOSN6C22H25 (1)
Stoich.:	ABCD6E22F25 (1)
Weight, g/mol:	438.127423
ΔH_f, kcal/mol:	37.96
Dipole, Da:	5.53
IP(EA), eV:	-8.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-fluorophenyl)-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CN2CCN(CC2)C3=NN4C=C(N=C4S3)C5=CC=C(C=C5)F

DOS

IR

Vibrations