Geometry & MOs

Info

ID:	122894
PubChem CID:	50825816
Reduced:	SN7C22H33 (1)
Stoich.:	AB7C22D33 (1)
Weight, g/mol:	478.287866
ΔH_f, kcal/mol:	87.49
Dipole, Da:	4.01
IP(EA), eV:	-7.8(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NN3C(=C(N=C3S2)C4=CC=C(C=C4)N(C)C)NC(C)(C)C

DOS

IR

Vibrations