Geometry & MOs

Info

ID:	348972
PubChem CID:	127274698
Reduced:	SO3N4C18H30 (1)
Stoich.:	AB3C4D18E30 (1)
Weight, g/mol:	398.198777
ΔH_f, kcal/mol:	-125.67
Dipole, Da:	0.92
IP(EA), eV:	-9.02(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCN(CC2)C(C)C(=O)NC3CC3

DOS

IR

Vibrations