Geometry & MOs

Info

ID:	123005
PubChem CID:	50829848
Reduced:	FOSN7C21H26 (1)
Stoich.:	ABCD7E21F26 (1)
Weight, g/mol:	497.237308
ΔH_f, kcal/mol:	7.55
Dipole, Da:	6.58
IP(EA), eV:	-8.13(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=C(N=C3N2N=C(S3)N4CCN(CC4)CC(=O)N)C5=CC=C(C=C5)F

DOS

IR

Vibrations