Geometry & MOs

Info

ID:	349921
PubChem CID:	127276726
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	383.187878
ΔH_f, kcal/mol:	-102.79
Dipole, Da:	7.02
IP(EA), eV:	-8.83(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(CCC1C(=O)N3CCN(CC3)C4=CC=CC=N4)C(=O)NC(=O)N2

DOS

IR

Vibrations