Geometry & MOs

Info

ID:	122895
PubChem CID:	50825817
Reduced:	SN6C27H38 (1)
Stoich.:	AB6C27D38 (1)
Weight, g/mol:	492.303516
ΔH_f, kcal/mol:	74.66
Dipole, Da:	6.44
IP(EA), eV:	-7.96(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-(4-cyclohexylpiperazin-1-yl)-6-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC2=C(N=C3N2N=C(S3)N4CCN(CC4)C5CCCCC5)C6=CC=CC=C6

DOS

IR

Vibrations