Geometry & MOs

Info

ID:	122897
PubChem CID:	50825856
Reduced:	FOSN7C24H26 (1)
Stoich.:	ABCD7E24F26 (1)
Weight, g/mol:	496.262046
ΔH_f, kcal/mol:	42.78
Dipole, Da:	6.96
IP(EA), eV:	-8.15(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-cyclohexylpiperazin-1-yl)-5-(cyclopentylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-2-methoxyphenol

Drug info:

PubChemData

Smile

CC(C)(C)NC1=C(N=C2N1N=C(S2)N3CCN(CC3)C(=O)C4=CC=CC=N4)C5=CC(=CC=C5)F

DOS

IR

Vibrations