Geometry & MOs

Info

ID:	122893
PubChem CID:	50825815
Reduced:	FOSN6C26H29 (1)
Stoich.:	ABCD6E26F29 (1)
Weight, g/mol:	427.251815
ΔH_f, kcal/mol:	22.63
Dipole, Da:	5.51
IP(EA), eV:	-8.39(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-6-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(N3C(=N2)SC(=N3)N4CCN(CC4)C(=O)C5=CC=CC=C5F)NC(C)(C)C

DOS

IR

Vibrations