Geometry & MOs

Info

ID:	349058
PubChem CID:	127274784
Reduced:	N2O2S2C13H20 (1)
Stoich.:	A2B2C2D13E20 (1)
Weight, g/mol:	396.165369
ΔH_f, kcal/mol:	-80.24
Dipole, Da:	1.86
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CNC(=O)CSCC2CCCCO2

DOS

IR

Vibrations