Geometry & MOs

Info

ID:	356437
PubChem CID:	127291510
Reduced:	SO3N4C19H34 (1)
Stoich.:	AB3C4D19E34 (1)
Weight, g/mol:	393.183461
ΔH_f, kcal/mol:	-136.11
Dipole, Da:	8.53
IP(EA), eV:	-8.91(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)N2CCN(CC2)CC3CN(CCO3)C(C)C

DOS

IR

Vibrations