Geometry & MOs

Info

ID:	350420
PubChem CID:	127277782
Reduced:	NSO4C19H25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	271.135448
ΔH_f, kcal/mol:	-163.97
Dipole, Da:	7.06
IP(EA), eV:	-8.95(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC2=CC3=C(C=C2)OCC3)C(=O)C4CCS(=O)(=O)C4

DOS

IR

Vibrations