Geometry & MOs

Info

ID:	158398
PubChem CID:	56463567
Reduced:	OSN3C21H35 (1)
Stoich.:	ABC3D21E35 (1)
Weight, g/mol:	400.193297
ΔH_f, kcal/mol:	-75.9
Dipole, Da:	4.67
IP(EA), eV:	-8.69(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(2-methylpropyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NC2CCN(CC2)CC3CCCCC3

DOS

IR

Vibrations