Geometry & MOs

Info

ID:	122896
PubChem CID:	50825818
Reduced:	SN6C28H40 (1)
Stoich.:	AB6C28D40 (1)
Weight, g/mol:	479.190358
ΔH_f, kcal/mol:	64.95
Dipole, Da:	6.32
IP(EA), eV:	-7.92(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(N3C(=N2)SC(=N3)N4CCN(CC4)C5CCCCC5)NC6CCCCCC6

DOS

IR

Vibrations