Geometry & MOs

Info

ID:	368837
PubChem CID:	127330657
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	363.129986
ΔH_f, kcal/mol:	-69.43
Dipole, Da:	5.19
IP(EA), eV:	-8.61(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[(5-piperidin-4-yl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCC(CC2)CC(=O)N3CCN(CC3)C)OC

DOS

IR

Vibrations