Geometry & MOs

Info

ID:	263391
PubChem CID:	103361989
Reduced:	S2N3O3C12H21 (1)
Stoich.:	A2B3C3D12E21 (1)
Weight, g/mol:	275.084081
ΔH_f, kcal/mol:	-121.98
Dipole, Da:	7.32
IP(EA), eV:	-8.69(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperazin-2-one

Drug info:

PubChemData

Smile

CCCS(=O)(=O)C1=C(SN=C1N)N2CCCC(C2)CO

DOS

IR

Vibrations