Geometry & MOs

Info

ID:	175432
PubChem CID:	75905173
Reduced:	N2O3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	441.174708
ΔH_f, kcal/mol:	-72.17
Dipole, Da:	8.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762044
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C[NH+]2CCCC2C3=CC=CC(=C3)C

DOS

IR

Vibrations