Geometry & MOs

Info

ID:	436066
PubChem CID:	135193665
Reduced:	OSN6C13H22 (1)
Stoich.:	ABC6D13E22 (1)
Weight, g/mol:	521.29368
ΔH_f, kcal/mol:	5.49
Dipole, Da:	6.53
IP(EA), eV:	-8.42(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-methyl-6-[4-(3-methylpiperidin-1-yl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2CCN(CC2)C3=NN=C(S3)N

DOS

IR

Vibrations