Geometry & MOs

Info

ID:	367662
PubChem CID:	127325191
Reduced:	OS2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	366.118418
ΔH_f, kcal/mol:	67.27
Dipole, Da:	4.12
IP(EA), eV:	-8.83(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-3-[3-oxo-3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propyl]-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN(N=C2)C)C(=O)N3CCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations