Geometry & MOs

Info

ID:	123003
PubChem CID:	50829801
Reduced:	OSN7C25H37 (1)
Stoich.:	ABC7D25E37 (1)
Weight, g/mol:	465.211093
ΔH_f, kcal/mol:	23.4
Dipole, Da:	4.32
IP(EA), eV:	-8.41(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-6-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-amine

Drug info:

PubChemData

Smile

CCCCNC(=O)CN1CCN(CC1)C2=NN3C(=C(N=C3S2)C4=CC=CC=C4C)NC(C)(C)C

DOS

IR

Vibrations