Geometry & MOs

Info

ID:	158208
PubChem CID:	56463160
Reduced:	OSN3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	400.229683
ΔH_f, kcal/mol:	-8.65
Dipole, Da:	4.95
IP(EA), eV:	-8.49(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations