Geometry & MOs

Info

ID:	123004
PubChem CID:	50829804
Reduced:	FSN7C24H28 (1)
Stoich.:	ABC7D24E28 (1)
Weight, g/mol:	443.190358
ΔH_f, kcal/mol:	77.39
Dipole, Da:	7.11
IP(EA), eV:	-8.48(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-(cyclopentylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC1=C(N=C2N1N=C(S2)N3CCN(CC3)CC4=CN=CC=C4)C5=CC(=CC=C5)F

DOS

IR

Vibrations